1,1'-티오카르보닐디이미다졸

한글명:1,1'-티오카르보닐디이미다졸

카스 번호6160-65-2

상품명:1,1'-Thiocarbonyldiimidazole

CBNumberCB0280138

분자식C7H6N4S

포뮬러 무게178.21

MOL 파일6160-65-2.mol

동의어(한글)

1,1'-티오카르보닐디이미다졸

화학적 성질

녹는점	98-102 °C(lit.)
끓는 점	342°C (rough estimate)
밀도	1.3046 (rough estimate)
굴절률	1.5500 (estimate)
저장 조건	2-8°C
용해도	테라히드로푸란, 톨루엔 및 디클로로메탄에 용해됩니다.
산도 계수 (pKa)	1.96±0.10(Predicted)
물리적 상태	가루
색상	밝은 노랑
수용성	물에서 분해되다
감도	Moisture Sensitive
BRN	609349
안정성	안정적이지만 공기와 습기에 민감합니다. 강한 산화제, 강산과 호환되지 않습니다.
InChIKey	RAFNCPHFRHZCPS-UHFFFAOYSA-N
CAS 데이터베이스	6160-65-2(CAS DataBase Reference)

위험 및 안전 성명

위험품 표기

위험 카페고리 넘버

22-34

안전지침서

22-24/25-45-36/37/39-26

WGK 독일

F 고인화성물질

9-21

위험 참고 사항

Irritant/Keep Cold/Moisture Sensitive

HS 번호

29332900

NFPA 704:

	1
2		1

그림문자(GHS)

1,1'-티오카르보닐디이미다졸 MSDS

1,1'-티오카르보닐디이미다졸 화학적 특성, 용도, 생산

개요
1,1'-Thiocarbonyldiimidazole (TCDI) is an imidazole compound that can be prepared by reacting thiophosphoryl chloride with two corresponding imidazoles. Its structure has two imidazole rings, and the imidazole groups can be rapidly displaced, making it a safer alternative to thiophosphoryl chloride. TCDI is used as an organic synthesis or chemical reaction reagent for the synthesis of thiosemicarbazones and thioamides. It is also used in the Corey-Winter olefin synthesis and in the Barton-McCombie deoxygenation reaction. In addition, it is the sulfur analogue of the peptide addition reagent carbodiimidazole (CDI), which is used to couple peptides.
화학적 성질
yellow powder
주요 응용
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.
용도
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.
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 -

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