Product

1-ADAMANTYL ISOTHIOCYANATE

CAS No.：4411-26-1

Other grades of this product :

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 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
HazardClass	6.1(b)
PackingGroup	III

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English

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 Preparation Products And Raw materials

Raw materials	TRIMETHYLSILYL ISOTHIOCYANATE-->1-ADAMANTANEISOCYANIDE-->(Trifluoromethylthio) silver(I)-->1-Chloroadamantane-->Phenyl isothiocyanate-->Amantadine-->Carbon disulfide-->(Trifluoromethyl)trimethylsilane-->1-Adamantanecarbonyl chloride-->Potassium thiocyanate
Preparation Products	2-Adamantanone

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