Heterocyclic compound

Heterocyclic compounds are a class of organic compounds with cyclic structure. The ring-constituting atoms in the molecule, in addition to carbon, also include one or more nitrogen, sulfur, oxygen and other atoms. Those containing one ring are called single-heterocyclic compounds, such as furan, thiazole, and pyridine. Those containing two or more rings are called fused heterocyclic compounds such as quinoline and purine. The most common and most stable are five- or six-membered heterocyclic ring. Simple heterocyclic ring is capable of merging with benzene or another heterocyclic ring to form a bicyclic, tricyclic or more complex ring system. Some kinds of heterocyclic rings have features of aromatic compounds, such as being easy to participate into substitution reaction, difficult to have addition reaction and being stable to oxidant. Heterocyclic compounds are widely found in nature, such as nucleic acids, most kinds of vitamins, chlorophyll, heme, most kinds of alkaloids, pigments and so on. A fraction of the heterocyclic compounds have aromatic characteristics, such as plants coumarone, jasmonate and animals civetone. There are many synthetic pesticides that belong to such compounds such as herbicides atrazine, amitrole, CMPT, insecticide fluorine propargite, quinoline parathion, thioquinox and so on. Simple heterocyclic compound is an important raw material of organic chemical industry.

The cyclic compounds with atoms constituting the ring system, in addition to carbon atom, also containing O, S, and N heteroatom are collectively referred to as heterocyclic compounds. According to this definition, the cyclic dicarboxylic anhydride, the cyclic imide, lactones, lactides, cyclic anhydrides, lactams, and cyclic ethers, strictly speaking, also belong to heterocyclic compounds. However, due to the nature of these compounds are similar with aliphatic compound, and can easily undergo either the cyclization of the open-chain compounds or ring open reaction to be transformed into chain compounds, thus being generally attributed to the aliphatic chemistry for discussion. Therefore, heterocyclic compounds generally refer specifically to those heterocyclic compounds with relatively stable ring system but different levels of aromatic properties, namely aromatic heterocyclic compound.

The organic heterocyclic compounds belong to a large class in the three large categories of organic compounds, open chain, carbocyclic and heterocyclic organic compounds. It contains various kinds and has a large number accounting for about one-third of all known organic compounds and is also widespread in the biosphere, having close relation with the biological growth, development, reproduction, and genetic variation and so on. Common heterocyclic compounds include furan, thiophene, pyrrole, pyridine, quinoline, carbazole and so on.

These kinds of heterocyclic compounds are widely used in organic synthesis or as pharmaceuticals, pesticides, solvents and so on. They are colorless liquids with special smell or crystallization and have specific gravity being less than or close to water. They are toxic and can be soluble in some organic solvents and slightly soluble in water. In case of fire, heat, oxidants and strong acids, it can cause fire or explosion with simultaneous deposition of toxic sulfur dioxide or nitrogen oxide gas. Furan, when being exposed to the air, is capable of forming peroxides with causing an explosion during distillation. In the management of dangerous goods, according to the risk grades of fire, explosion, toxicity risk, they were classified as flammable liquids, flammable solids and organic toxic chemicals; when used in the reservoir, the first two comply danger of the A and B class while the latter one is based on class C fire danger for conducting fire management. In case of fire, we can use foam, dry powder, water mist, 1211 and carbon dioxide for fire extinguishing agents.

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Structure Chemical Name CAS MF
(+)-(4S)-PHENYL-ALPHA-[(4S)-PHENYLOXAZOLIDIN-2-YLIDENE]-2-OXAZOLINE-2-ACETONITRILE (+)-(4S)-PHENYL-ALPHA-[(4S)-PHENYLOXAZOLIDIN-2-YLIDENE]-2-OXAZOLINE-2-ACETONITRILE 150639-33-1 C20H17N3O2
2-Amino-5-nitrothiazole 2-Amino-5-nitrothiazole 121-66-4 C3H3N3O2S
Benzo[d]Isothiazole Benzo[d]Isothiazole 272-16-2 C7H5NS
2-Propenoic acid, 3-[1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]-, (2E)- 2-Propenoic acid, 3-[1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-2-deoxy-β-D-erythro-pentofuranosyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]-, (2E)- 923023-62-5 C33H32N2O9
Pneumocandin B0 Pneumocandin B0 135575-42-7 C50H80N8O17
7H-Pyrrolo[2,3-d]pyrimidine, 2-methyl- (7CI) 7H-Pyrrolo[2,3-d]pyrimidine, 2-methyl- (7CI) 89792-07-4 C7H7N3
Benzenamine, 4,4',4''-(2,4,6-pyrimidinetriyl)tris- (9CI) Benzenamine, 4,4',4''-(2,4,6-pyrimidinetriyl)tris- (9CI) 136009-19-3 C22H19N5
1-CYCLOPROPYLMETHYL-PIPERAZINE DIHYDROCHLORIDE 1-CYCLOPROPYLMETHYL-PIPERAZINE DIHYDROCHLORIDE 373608-42-5 C8H18Cl2N2
2,1-BENZISOXAZOLE 2,1-BENZISOXAZOLE 271-58-9 C7H5NO
Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-chloro- Pyrido[2,3-d]pyrimidin-4(3H)-one, 2-chloro- 93049-38-8 C7H4ClN3O
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-chloro-3,5-dihydro-3-methyl- 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-chloro-3,5-dihydro-3-methyl- 2351929-82-1 C7H6ClN3O
2,4-DICHLOROQUINOLINE 2,4-DICHLOROQUINOLINE 703-61-7 C9H5Cl2N
3-Ethynyl-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-Ethynyl-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1189793-01-8 C10H11N5
N'-Hydroxy-2-(pyrrolidin-1-yl)benzimidamide N'-Hydroxy-2-(pyrrolidin-1-yl)benzimidamide C11H15N3O
(R)-2-((trifluoromethoxy)methyl)piperazine (R)-2-((trifluoromethoxy)methyl)piperazine
N6-[(5-Bromothien-2-yl)methyl]adenosine N6-[(5-Bromothien-2-yl)methyl]adenosine 1706525-09-8 C15H16BrN5O4S
2-(3,5-Dichlorophenyl)Pyrrolidine 2-(3,5-Dichlorophenyl)Pyrrolidine 887344-13-0 C10H11Cl2N
3-Iodo-1-(1-methyl-piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 3-Iodo-1-(1-methyl-piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine 1411763-96-6 C12H17IN6
(S)-2-(2,2-difluoroethyl)piperazine (S)-2-(2,2-difluoroethyl)piperazine
(S)-2-(2,2-difluoroethyl)piperazine dihydrochloride (S)-2-(2,2-difluoroethyl)piperazine dihydrochloride
(R)-2-(2,2,2-trifluoroethyl)piperazine dihydrochloride (R)-2-(2,2,2-trifluoroethyl)piperazine dihydrochloride
Pyrroloquinoline quinone disodium salt Pyrroloquinoline quinone disodium salt 122628-50-6 C14H4N2Na2O8
4H-Cyclopentapyrimidin-4-one, 2-chloro-1,5,6,7-tetrahydro- (9CI) 4H-Cyclopentapyrimidin-4-one, 2-chloro-1,5,6,7-tetrahydro- (9CI) 178308-48-0 C7 H7 Cl N2 O
2-CHLORO-4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDINE 2-CHLORO-4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDINE 241164-09-0 C6H4ClF3N2
5-oxoproline, compound with piperazine (1:1) 5-oxoproline, compound with piperazine (1:1) 4889-40-1 C5H7NO3.C4H10N2
1-BENZOTHIOPHEN-3(2H)-ONE 1-BENZOTHIOPHEN-3(2H)-ONE 130-03-0 C8H6OS
Isoquinoline, 6-(1-methylethyl)- (9CI) Isoquinoline, 6-(1-methylethyl)- (9CI) 790304-84-6 C12H13N
4(1H)-Pyrimidinone, 2-amino-5-hydroxy-6-methyl- (9CI) 4(1H)-Pyrimidinone, 2-amino-5-hydroxy-6-methyl- (9CI) 14405-13-1 C5H7N3O2
tert-butyl  4-[2-(2,6-dioxo-3-piperidyl)-6-fluoro-1,3-dioxo-isoindolin-5-yl]piperazine-1-carboxyl ate tert-butyl 4-[2-(2,6-dioxo-3-piperidyl)-6-fluoro-1,3-dioxo-isoindolin-5-yl]piperazine-1-carboxyl ate
2-CHLORO-4-PHENYLQUINAZOLINE 2-CHLORO-4-PHENYLQUINAZOLINE 29874-83-7 C14H9ClN2
2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE 2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE 57598-33-1 C12H15NO2
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoic acid 3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoic acid 764642-23-1 C9H12N2O3
3-(2-CHLORO-PHENYL)-PYRROLIDINE 3-(2-CHLORO-PHENYL)-PYRROLIDINE 298690-74-1 C10H12ClN
2-bromothiazol-4-amine 2-bromothiazol-4-amine 41731-33-3 C3H3BrN2S
3-METHYL-1,3-THIAZOLANE-2,4-DIONE 3-METHYL-1,3-THIAZOLANE-2,4-DIONE 16312-21-3 C4H5NO2S
4-Chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline 4-Chloro-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline 264208-72-2 C16H20ClN3O2
4,6-Dihydrothieno[3,4-b]thiophene-2-carboxylic acid 4,6-Dihydrothieno[3,4-b]thiophene-2-carboxylic acid 7712-05-2 C7H6O2S2
3-BroMo-5fluoro-4-Methylpyridine 3-BroMo-5fluoro-4-Methylpyridine 1211517-76-8 C6H5BrFN
2-PyriMidinaMine, 4-(4-fluoro-1-naphthalenyl)-6-(1-Methylethyl)-, Monohydrochloride 2-PyriMidinaMine, 4-(4-fluoro-1-naphthalenyl)-6-(1-Methylethyl)-, Monohydrochloride 199864-86-3 C17H17ClFN3
(5R)- 5-Methyl-2-Pyrrolidinone (5R)- 5-Methyl-2-Pyrrolidinone 21395-93-7 C5H9NO
5-(4-Bromophenyl)-4,6-dichloropyrimidine 5-(4-Bromophenyl)-4,6-dichloropyrimidine 146533-41-7 C10H5BrCl2N2
1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone 1-(4-(3-Methoxy-4-nitrophenyl)piperazin-1-yl)ethanone 1116229-11-8 C13H17N3O4
3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 119736-16-2 C13H10O5
SELEXIPAG interMediate SELEXIPAG interMediate 475086-75-0 C23H27N3O
2-PhenylpyriMidine-4-carboxylic acid 2-PhenylpyriMidine-4-carboxylic acid 16879-53-1 C11H8N2O2
Ethyl 2-chloropyrazolo[1,5-a]pyriMidine-3-carboxylate Ethyl 2-chloropyrazolo[1,5-a]pyriMidine-3-carboxylate 1394003-65-6 C9H8ClN3O2
Pyrazolam Pyrazolam 39243-02-2 C16H12BrN5
4-(1-Fluoro-1-methyl-ethyl)-pyrimidine-5-carbaldehyde 4-(1-Fluoro-1-methyl-ethyl)-pyrimidine-5-carbaldehyde 1427195-14-9 C8H9FN2O
4-(3-(allyloxymethyl)phenyl)-2-chloropyrimidine 4-(3-(allyloxymethyl)phenyl)-2-chloropyrimidine 937273-29-5 C14H13ClN2O
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid 851784-82-2 C15H17Cl2NO4
2,5-Piperazinedione, 1-acetyl-3-(phenylmethylene)-, (3Z)- 2,5-Piperazinedione, 1-acetyl-3-(phenylmethylene)-, (3Z)- 30166-30-4 C13H12N2O3
3,5-Dibromo-1H-pyrazole 3,5-Dibromo-1H-pyrazole 67460-86-0 C3H2Br2N2
MK-4618 Pyrimidinone Acid Sodium Salt MK-4618 Pyrimidinone Acid Sodium Salt 1421271-01-3 C8H9N2NaO3
4-Pyrimidinamine, 2-chloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- 4-Pyrimidinamine, 2-chloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- 1197956-18-5 C13H14ClN3O2S
2-Propenoic acid, 3-[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]propyl ester 2-Propenoic acid, 3-[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]propyl ester 104357-57-5 C19H17NO3
6-BroMo-3-AMino-4-quinolinol 6-BroMo-3-AMino-4-quinolinol 1153094-27-9 C9H7BrN2O
2-Methylpyrazolo[1,5-a]pyriMidin-5-ol 2-Methylpyrazolo[1,5-a]pyriMidin-5-ol 189116-35-6 C7H7N3O
2-BroMo-1-(pyriMidin-2-yl)ethanone hydrobroMide 2-BroMo-1-(pyriMidin-2-yl)ethanone hydrobroMide 1588441-02-4 C6H6Br2N2O
Ethyl 2-aMinopyriMidine-4-carboxylate Ethyl 2-aMinopyriMidine-4-carboxylate 916056-77-4 C7H9N3O2
2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline 2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline 1609394-10-6 C10H12N4O
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate [4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate 22095-98-3 C20H16N2O4
5-PYRIMIDINECARBONITRILE,1,6-DIHYDRO-4-(3-METHOXYPHENYL)-2-(METHYLTHIO)-6-OXO-(WXG01917) 5-PYRIMIDINECARBONITRILE,1,6-DIHYDRO-4-(3-METHOXYPHENYL)-2-(METHYLTHIO)-6-OXO-(WXG01917) 128640-73-3 C13H11N3O2S
THIAZOLE ORANGE THIAZOLE ORANGE 107091-89-4 C26H24N2O3S2
2-Bromo-6-methoxybenzothiazole 2-Bromo-6-methoxybenzothiazole 2941-58-4 C8H6BrNOS
4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)aniline 4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)aniline 1921374-52-8 C14H16FN5
1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE 1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE 443998-65-0 C16H23BrN2O2
4-(aminomethyl)-N,N,6-trimethylpyrimidin-2-amine 4-(aminomethyl)-N,N,6-trimethylpyrimidin-2-amine 1177480-26-0 C8H14N4
4 5-DIAMINO-6-HYDROXY-2-MERCAPTOPYRIMID& 4 5-DIAMINO-6-HYDROXY-2-MERCAPTOPYRIMID& 304851-89-6 C4H6N4OS.H2O.H2O4S
6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 57196-62-0 C10H14ClNO
1-but-3-enyl-4-(2,3-chloro-phenyl)-piperazine 1-but-3-enyl-4-(2,3-chloro-phenyl)-piperazine
(R)-2-(2-fluoroethyl)piperazine (R)-2-(2-fluoroethyl)piperazine
Acefylline Piperazine Acefylline Piperazine 18428-63-2 C100H150N46O32
(R)-2-(2-Chlorophenyl)pyrrolidine (R)-2-(2-Chlorophenyl)pyrrolidine 823188-58-5 C10H12ClN
2(1H)-Pyrimidinone, hydrazone (9CI) 2(1H)-Pyrimidinone, hydrazone (9CI) 7504-94-1 C4H6N4
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]piperazine-1-c arboxylate tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]piperazine-1-c arboxylate
1,2,5-Thiadiazoles 1,2,5-Thiadiazoles 288-39-1 C2H2N2S
3,6-dimethyl-1h-pyrimidine-2,4-dione 3,6-dimethyl-1h-pyrimidine-2,4-dione 19674-60-3 C6H8N2O2
3-Bromopyridine-2,6-dicarboxylic acid 3-Bromopyridine-2,6-dicarboxylic acid 316808-10-3 C7H4BrNO4
4-bromoisoindolin-1-one 4-bromoisoindolin-1-one 337536-15-9 C8H6BrNO
1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene 1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene 94525-05-0 C20H14F6N2O2
Methyl 10-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-9-methoxy-3-oxo-3H-benzo[f]chromene-2-carboxylate Methyl 10-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-9-methoxy-3-oxo-3H-benzo[f]chromene-2-carboxylate 137350-66-4 C20H13NO7
(E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole 886230-77-9 C19H18IN3O
4,6-Dimethoxypyrimidin-5-methyl amine 4,6-Dimethoxypyrimidin-5-methyl amine 1118786-90-5 C7H11N3O2
4,6-Difluoro-2-Methylsulfanyl-pyriMidine 4,6-Difluoro-2-Methylsulfanyl-pyriMidine 122815-08-1 C5H4F2N2S
4'-ethynyl-2-fluoro-2'-deoxyadenosine 4'-ethynyl-2-fluoro-2'-deoxyadenosine 865363-93-5 C12H12FN5O3
4,6-dichloro-5-(4-chlorophenyl)-pyriMidine 4,6-dichloro-5-(4-chlorophenyl)-pyriMidine 3974-18-3 C10H5Cl3N2
(R,R)-2,2'-(2,6-PYRIDINEDIYL)BIS(4-ISOPROPYL-2-OXAZOLINE) (R,R)-2,2'-(2,6-PYRIDINEDIYL)BIS(4-ISOPROPYL-2-OXAZOLINE) 131864-67-0 C17H23N3O2
2,4-dichloropyrido[3',2':4,5]furo[3,2-d]pyrimidine 2,4-dichloropyrido[3',2':4,5]furo[3,2-d]pyrimidine 1268241-74-2 C9H3Cl2N3O
2-bromo-5-phenylpyrimidine 2-bromo-5-phenylpyrimidine 155079-14-4 C10H7BrN2
(S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethanamine (S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethanamine 1980023-96-8 C10H11FN4
1-CYCLOPROPYLPIPERAZINE DIHYDROCHLORIDE 1-CYCLOPROPYLPIPERAZINE DIHYDROCHLORIDE 139256-79-4 C7H16Cl2N2
4,6-Dichloro-2-(4-chloro-3-fluorophenyl)pyrimidine 4,6-Dichloro-2-(4-chloro-3-fluorophenyl)pyrimidine 1190735-18-2 C10H4Cl3FN2
(S)-2-(2,2,2-TRIFLUORO-ETHYL)-PIPERAZINE (S)-2-(2,2,2-TRIFLUORO-ETHYL)-PIPERAZINE 1240584-16-0 C6H11F3N2
1,1,1-Trifluoro-2,3-epoxypropane 1,1,1-Trifluoro-2,3-epoxypropane 359-41-1 C3H3F3O
2-bromo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-bromo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 1210532-02-7 C8H8BrN3OS
Ethyl 2-Chloro-5-fluoropyrimidine-4-carboxylate Ethyl 2-Chloro-5-fluoropyrimidine-4-carboxylate 1246632-85-8 C7H6ClFN2O2
1,3,5-TRIBENZYLHEXAHYDRO-1,3,5-TRIAZINE 1,3,5-TRIBENZYLHEXAHYDRO-1,3,5-TRIAZINE 2547-66-2 C24H27N3
Isoxazole Isoxazole 288-14-2 C3H3NO
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol 2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol 87753-08-0 C13H12N2O
2-Methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one 2-Methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one 2163770-66-7 C9H7F3N2OS
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