1-ADAMANTYL ISOTHIOCYANATE

1-ADAMANTYL ISOTHIOCYANATE Basic information
Product Name:1-ADAMANTYL ISOTHIOCYANATE
Synonyms:AKOS BC-0479;1-ISOTHIOCYANATO-ADAMANTANE;1-ADAMANTYL ISOTHIOCYANATE;Isothiocyanic acid 1-adamantyl estr;tricyclo(3.3.1.13,7)dec-1-yl isocyanate;ISOTHIOCYANIC ACID 1-ADAMANTYL ESTER 98+%;CHEMBRDG-BB 4013913;LABOTEST-BB LT00007840
CAS:4411-26-1
MF:C11H15NS
MW:193.31
EINECS:224-564-4
Product Categories:Adamantane derivatives;Adamantanes;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:4411-26-1.mol
1-ADAMANTYL ISOTHIOCYANATE Structure
1-ADAMANTYL ISOTHIOCYANATE Chemical Properties
Melting point 166-168 °C (lit.)
density 1.35
refractive index 1.5500 (estimate)
form powder to crystal
color White to Orange to Green
InChIKeyYPKFLUARLJRPQM-UHFFFAOYSA-N
CAS DataBase Reference4411-26-1(CAS DataBase Reference)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38
Safety Statements 26-37/39
RIDADR 2811
WGK Germany 3
HS Code 2930.90.9250
HazardClass 6.1(b)
PackingGroup III
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
1-ADAMANTYL ISOTHIOCYANATE Usage And Synthesis
Chemical Propertieswhite crystalline powder
Uses1-Adamantyl isothiocyanate was used in the synthesis of:
  • tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand
  • 1-adamantyl-3-(2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-ylamino)alkane)thiourea 2,3-dihydroxysuccinates
General Description1-Adamantyl isothiocyanate undergoes nucleophilic addition reaction with pyrrolidine, piperidine, 3-hydroxypiperidine and 4-hydroxypiperidine to yield N′,N′-disubstituted N-(1-adamantyl)-thiourea derivatives.
Purification MethodsDissolve it in Et2O, wash with H2O, dry (Na2SO4), evaporate and sublime the residue in a vacuum at 140o, then recrystallise it from MeOH. Irritant. [Stetter & Wulff Chem Ber 95 2302 1962.]
CYCLOHEXYL ISOTHIOCYANATE 3-METHYLBUTYL ISOTHIOCYANATE 1-ADAMANTYL ISOTHIOCYANATE Amantadine 6-METHYL-2-HEPTYL ISOTHIOCYANATE TERT-PENTYL ISOTHIOCYANATE Cyclooctylamine CYCLOOCTYL ISOTHIOCYANATE 2-PENTYL ISOTHIOCYANATE HEPTYL ISOTHIOCYANATE Diprobutine 2-OCTYL ISOTHIOCYANATE 1-AMINO-1-PROPYLCYCLOHEXANE 1-AMINO-1-ETHYLCYCLOHEXANE 3-METHYLCYCLOHEXYLAMINE 3-PENTYL ISOTHIOCYANATE TERT-BUTYL ISOTHIOCYANATE 2-HEPTYL ISOTHIOCYANATE

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