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

InChIKey

YPKFLUARLJRPQM-UHFFFAOYSA-N

CAS DataBase Reference

4411-26-1(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

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

1-ADAMANTYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

white crystalline powder

Uses

1-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 Description

1-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 Methods

Dissolve 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.]

1-ADAMANTYL ISOTHIOCYANATE(4411-26-1)Related Product Information

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