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156051

Sigma-Aldrich

1,1′-Thiocarbonyldiimidazole

technical grade, 90%

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About This Item

Empirical Formula (Hill Notation):
C7H6N4S
CAS Number:
6160-65-2
Molecular Weight:
178.21
Beilstein/REAXYS Number:
609349
EC Number:
228-183-4
MDL number:
MFCD00005289
UNSPSC Code:
12352005
PubChem Substance ID:
24849589
NACRES:
NA.22

grade

technical grade

assay

90%

reaction suitability

reaction type: Carbonylations

mp

98-102 °C (lit.)

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
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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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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