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Key Documents

156051

Sigma-Aldrich

1,1′-Thiocarbonyldiimidazole

technical grade, 90%

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About This Item

Empirical Formula (Hill Notation):
C7H6N4S
CAS Number:
Molecular Weight:
178.21
Beilstein:
609349
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

grade

technical grade

Assay

90%

reaction suitability

reaction type: Carbonylations

mp

98-102 °C (lit.)

functional group

thiourea

SMILES string

S=C(n1ccnc1)n2ccnc2

InChI

1S/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H

InChI key

RAFNCPHFRHZCPS-UHFFFAOYSA-N

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Application

A useful reagent in biochemical synthesis.
Reagent used for the deoxygenation of alcohols with tributyltin hydride and diols with lithium aluminum hydride.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Paweł Chochrek et al.
The Journal of organic chemistry, 72(14), 5276-5284 (2007-06-21)
1 alpha,25-Dihydroxyvitamin D3 (calcitriol, 1) is a bioregulator important for the treatment of various human metabolic diseases and biomedical research. Herein, we report an efficient diastereoselective approach to the key trans-hydrindane building block for calcitriol synthesis (2a) starting from the

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