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1-ADAMANTYL ISOTHIOCYANATE

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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
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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)
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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

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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 ISOTHIOCYANATESupplier

Chongqing Maohuan Chemical Co.Ltd> Gold
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