ChemicalBook Product Catalog Chemical Reagents Organic reagents Sulfonates / Sulfinates salts p-Toluenesulfonic acid monohydrate

p-Toluenesulfonic acid monohydrate

p-Toluenesulfonic acid monohydrate Basic information
Product Name:p-Toluenesulfonic acid monohydrate
Synonyms:Lisinopril EP IMpurity B;p-Toluenesulfonic Acid, Monohydrate, ACS;Benzenesulfonic acid,4-Methyl-, hydrate (1:1);P-toluene sulfonic acid(water;p-Toluenesulfonic acid Monohydrate >=98.0% (T), >=98.0% (HPLC);p-Toluenesulfonic acid monohydrate ACS reagent, >=98.5%;p-Toluenesulfonic acid monohydrate ReagentPlus(R), >=98%;p-Toluenesulfonic acid monohydrate Vetec(TM) reagent grade, 98%
CAS:6192-52-5
MF:C7H10O4S
MW:190.22
EINECS:203-180-0
Product Categories:fine chemical;Pharmaceutical intermediates;Organic Acids;ACS GradeChemical Synthesis;Essential Chemicals;Sulphur Derivatives;Organic AcidsDerivatization Reagents TLC;Chemical Synthesis;Synthetic Reagents;TLC Reagents, S-Z;TLC Visualization Reagents (alphabetic sort);Reagent Grade;Organic AcidsOrganic Building Blocks;Organic Building Blocks;Sulfonic/Sulfinic Acids;Sulfur Compounds;Routine Reagents;bc0001;YP00036
Mol File:6192-52-5.mol
p-Toluenesulfonic acid monohydrate Structure
p-Toluenesulfonic acid monohydrate Chemical Properties
Melting point 96-99 °C(lit.)
Boiling point 140°C 20mm
density 1,24 g/cm3
vapor density 5.9 (vs air)
refractive index 1,382-1,384
Fp 180 °C
storage temp. Store at +5°C to +30°C.
solubility H2O: 0.1 g/mL, clear
form Solid
Colour Index 42655
color White to pink
PH1 (650g/l, H2O, 20℃)(anhydrous substance)
Water Solubility soluble
Sensitive Hygroscopic
Merck 14,9533
BRN 3568023
Stability:Stable. Incompatible with strong oxidizing agents, strong bases, most common metals. Protect from moisture.
InChIKeyKJIFKLIQANRMOU-UHFFFAOYSA-N
CAS DataBase Reference6192-52-5(CAS DataBase Reference)
EPA Substance Registry SystemBenzenesulfonic acid, 4-methyl-, monohydrate (6192-52-5)
Safety Information
Hazard Codes Xi,C
Risk Statements 36/37/38-34-37
Safety Statements 26-37-45-36/37/39
RIDADR UN 2585 8/PG 3
WGK Germany -
RTECS XT6300000
F 3
Autoignition Temperature600 °C
TSCA Yes
HazardClass 8
PackingGroup III
HS Code 29041000
ToxicityLD50 orally in Rabbit: 2570 mg/kg
MSDS Information
ProviderLanguage
4-Methylbenzenesulfonic acid monohydrate English
SigmaAldrich English
ACROS English
ALFA English
p-Toluenesulfonic acid monohydrate Usage And Synthesis
Chemical PropertiesWhite crystals
Usesp-Toluenesulfonic acid monohydrate (p-TsOH·H2O) may be used as a catalyst in the synthesis of the following:
  • Unsymmetrical benzils.
  • Highly substituted piperidines.
  • 1,3,5-Trisubstituted benzenes by trimerization of alkynes.
  • Triazoloquinazolinone and benzimidazoquinazolinone derivatives.
  • 1,3,5-Trisubstituted pyrazoles derivatives.
  • Selenated ketene dithioacetals.
UsesDerivitizing agent.
Usesp-Toluenesulfonic acid monohydrate is used as a catalyst in the synthesis of resveratrol, in oxane derivatives as an antimalarial agent, as substituted piperidine and unsymmetrical benzyl. It acts as a catalyst in the preparation of 1,3,5-trisubstituted pyrazoles derivatives, selenated ketene dithioacetals, triazoloquinazolinone and benzimidazoquinazolinone derivatives. It also serves as an intermediate in the esterification and in reductive amination reactions.
General Descriptionp-Toluenesulfonic acid monohydrate, an oxonium salt, is an inexpensive and easy to handle organic catalyst used in organic synthesis. The study of its crystalline structure shows that it is monoclinic with P21/c space group. Its solubility in aqueous sulfuric acid solutions has been studied.
Purification MethodsPurify the acid by precipitation from a saturated solution at 0o by introducing HCl gas. It can also be crystallised from conc HCl, then crystallised from dilute HCl (charcoal) to remove benzenesulfonic acid. It has been crystallised from EtOH/water. Dry it in a vacuum desiccator over solid KOH and CaCl2. p-Toluenesulfonic acid can be dehydrated by azeotropic distillation with *benzene or by heating at 100o for 4hours under water-pump vacuum. The anhydrous acid can be crystallised from *benzene, CHCl3, ethyl acetate, anhydrous MeOH, or from acetone by adding a large excess of *benzene. It can also be dried under vacuum at 50o. The S-benzylisothiuronium salt has m 182o (from aqueous EtOH). [Beilstein 11 IV 241.]
p-Toluenesulfonic acid monohydrate Preparation Products And Raw materials
Preparation ProductsEthyl (R)-2-hydroxy-4-phenylbutyrate-->Clemizole-->2-(3-CHLOROPROPYL)-1,3-DIOXOLANE-->4-(1,2,3-THIADIAZOL-4-YL)BENZYLAMINE HYDROCHLORIDE-->4-CHLORO-2-(TETRAHYDRO-2H-PYRAN-2-YL)-5-HYDROXYPYRIDAZIN-3(2H)-ONE-->4-(4-CHLOROPHENYL)-1,2,3-THIADIAZOL-5-AMINE-->3-METHOXYCARBONYL-3-SULFOLENE-->2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID-->Cefoperazone-->4-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-5-AMINE-->4-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3-THIADIAZOL-5-AMINE-->1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone-->LENAMPICILLIN-->4-[4-(BROMOMETHYL)PHENYL]-1,2,3-THIADIAZOLE-->2-AMINO-4-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID-->Saquinavir-->4-PYRIDINEETHANETHIOL HYDROCHLORIDE-->Methyl glycolate-->METHYL 4-BROMO-3-OXOPENTANOATE-->Doxifluridine-->2-Phenyl-2-imidazoline-->Pyridinium p-Toluenesulfonate
3-BENZYLOXY-PYRROLIDINE TOLUENE-4-SULFONIC ACID 1-[(Z)-3-Hexenyl]-3α,4β-bis(benzyloxy)pyrrolidine-2,5-dione Iron(III) p-toluenesulfonate 3-(BENZYLOXY)PYRROLIDINE HYDROCHLORIDE TOLUENESULFONIC ACID MONOHYDRATE MIXTUR& 1-Benzyl-4-(Benzyloxy)Pyrrolidine-2-Carboxylic Acid Hydrochloride 1-(3-Butenyl)-3α,4β-bis(benzyloxy)pyrrolidine-2,5-dione Ethyl 2-(Chlorosulfonyl)acetate Ascoric Acid (2S,4R)-4-Benzyloxy-pyrrolidine-2-carboxylic acid methyl ester hydrochloride SULFONIC ACID (S)-3-(BENZYLOXY)PYRROLIDINE (2S,4R)-1-BOC-4-BENZYLOXY-PYRROLIDINE-2-DICARBOXYLIC ACID METHYL ESTER (2S,4R)-1-Boc-4-benzyloxy-pyrrolidine-2-acetic acid methyl ester, N-Boc-O-benzyl-L-β-homohydroxyproline methyl ester 1-[(E)-3-Hexenyl]-3α,4β-bis(benzyloxy)pyrrolidine-2,5-dione (S)-3-BENZYLOXY-PYRROLIDINE HYDROCHLORIDE (R)-3-BENZYLOXY-PYRROLIDINE: TOLUENE-4-SULFONIC ACID R/S-3-BENZYLOXY-PYRROLIDINE.HCL
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