1,1'-Thiocarbonyldiimidazole
![1,1'-Thiocarbonyldiimidazole Structure](CAS/GIF/6160-65-2.gif)
- CAS No.
- 6160-65-2
- Chemical Name:
- 1,1'-Thiocarbonyldiimidazole
- Synonyms
- TCDI;Di(1H-imidazol-1-yl)methanethione;1,1-THIOCARBONYLDIIMIDAZOLE;Thiocarbonyl diimidazole;bis(1H-imidazol-2-yl)methanethione;DiiMidaz;diimidazoL;1,1'-THIOCARBONYL;1,1'-Thiocarbonyldii;Thiocarbonylbisimidazole
- CBNumber:
- CB0280138
- Molecular Formula:
- C7H6N4S
- Molecular Weight:
- 178.21
- MOL File:
- 6160-65-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/5/29 17:03:55
Melting point | 98-102 °C(lit.) |
---|---|
Boiling point | 342°C (rough estimate) |
Density | 1.3046 (rough estimate) |
refractive index | 1.5500 (estimate) |
storage temp. | 2-8°C |
solubility | Soluble in terahydrofuran, toluene and dichloromethane. |
pka | 1.96±0.10(Predicted) |
form | Powder |
color | Bright yellow |
Water Solubility | decomposes |
Sensitive | Moisture Sensitive |
BRN | 609349 |
Stability | Stable, but air and moisture sensitive. Incompatible with strong oxidizing agents, strong acids. |
InChIKey | RAFNCPHFRHZCPS-UHFFFAOYSA-N |
CAS DataBase Reference | 6160-65-2(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | ![]() GHS07 |
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---|---|---|---|---|---|---|---|---|---|---|
Signal word | Warning | |||||||||
Hazard statements | H315-H319-H335 | |||||||||
Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
Hazard Codes | Xi | |||||||||
Risk Statements | 22-34 | |||||||||
Safety Statements | 22-24/25-45-36/37/39-26 | |||||||||
WGK Germany | 3 | |||||||||
F | 9-21 | |||||||||
Hazard Note | Irritant/Keep Cold/Moisture Sensitive | |||||||||
HS Code | 29332900 | |||||||||
NFPA 704 |
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1,1'-Thiocarbonyldiimidazole price More Price(10)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich(India) | 88545 | 1,1′-Thiocarbonyldiimidazole ≥95.0% (S) | 6160-65-2 | 1G | ₹2175.83 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 88545 | 1,1′-Thiocarbonyldiimidazole ≥95.0% (S) | 6160-65-2 | 5G | ₹6776.45 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 88545 | 1,1′-Thiocarbonyldiimidazole ≥95.0% (S) | 6160-65-2 | 25G | ₹18922.1 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 156051 | 1,1′-Thiocarbonyldiimidazole technical grade, 90% | 6160-65-2 | 5G | ₹4611.45 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 156051 | 1,1′-Thiocarbonyldiimidazole technical grade, 90% | 6160-65-2 | 10G | ₹7913.08 | 2022-06-14 | Buy |
1,1'-Thiocarbonyldiimidazole Chemical Properties,Uses,Production
Chemical Properties
yellow powder
Uses
1,1'-Thiocarbonyldiimidazole is used as a reagent for the deoxygenation of alcohols with tributyltin hydride and diols with lithium aluminum hydride. It is also used to deoxygenate carboxylic monosaccharide analogues. Further, it is a useful reagent involved in biochemical synthesis. In addition to this, it is used to prepare 1-[bis-(4-methoxy-phenyl)-methyl]-1H-imidazole by reacting with 4,4'-dimethoxy-benzhydrol.
Application
1,1′-Thiocarbonyldiimidazole (TCDI) is generally used as a reagent to carry out the deoxygenation of vicinal diols by forming cyclic thionocarbonate in Corey-Winter alkene synthesis.
It is used as a reagent in the enantioselective total synthesis of (+)-hapalindole Q, 12-epi-fischerindole U and welwitindolinone A.
It is also used in the preparation of trithiocarbonates, xanthates, and dithiocarbamates as chain transfer agents for the reversible addition fragmentation chain transfer and macromolecular design (RAFT/ MADIX) polymerization.
Purification Methods
It forms yellow crystals on recrystallisation from tetrahydrofuran or by sublimation at 10-3torr (bath temperature 70-80o). It is hydrolysed by H2O and should be stored dry. [Staab & Walther Justus Liebigs Ann Chem 657 98 1962; Pullukat et al. Tetrahedron Lett 1953 1967, Hanessian et al. Can J Chem 65 1859 1987, Rajanbabu et al. J Am Chem Soc 111 1759 1989.] Thiochrome {2,7-dimethyl-5H -thiachromine-8-ethanol; 3,8-dimethyl-2-hydroxyethyl-5H -
1,1'-Thiocarbonyldiimidazole Preparation Products And Raw materials
Raw materials
Preparation Products
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