88545

1,1′-Thiocarbonyldiimidazole

≥95.0% (S)

• Sinônimo(s): TCDI
• Fórmula empírica (Notação de Hill): C₇H₆N₄S
• Número CAS: 6160-65-2
• Peso molecular: 178.21
• Beilstein: 609349
• Número CE: 228-183-4
• Número MDL: MFCD00005289
• Código UNSPSC: 12352005
• ID de substância PubChem: 57653315
• NACRES: NA.22

Propriedades

• Nível de qualidade: 200
• Ensaio: ≥95.0% (S)
• forma: powder
• adequação da reação: reaction type: Carbonylations
• pf: 98-102 °C (lit.)
• temperatura de armazenamento: 2-8°C
• cadeia de caracteres SMILES: S=C(n1ccnc1)n2ccnc2
• InChI: 1S/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H
• chave InChI: RAFNCPHFRHZCPS-UHFFFAOYSA-N

Descrição

Aplicação

• 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.

Outras notas

Reagent for the synthesis of thioamides; Used in a modified Corey-Winter olefin synthesis; Preparation of thiocarbamates from alcohols which undergo radical reactions with Bu₃SnH-AIBN

Informações de segurança

• Pictogramas: GHS07
• Palavra indicadora: Warning
• Frases de perigo: H302,H315,H319
• Declarações de precaução: P264 - P270 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable
• Equipamento de proteção individual: Eyeshields, Gloves, type N95 (US)