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기본 정보
- CAS
934762-68-2- 표준 SMILES
CC(C)(C)[S@@](=O)N[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
WMIJNZVQFOPOBW-ZHANGXNJSA-N- 분자식
- C19H25F6N3O2S
- 평균 분자량
- 473.483 g/mol
- 단동위원소 질량
- 473.15716736
이름 및 식별자
- 우선 이름
- N-[(1R,2R)-2-({[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-2-methylpropane-2-sulfinamide
- IUPAC
- (S~2~R)-N-[(1R,2R)-2-({[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}amino)cyclohexyl]-2-methylpropane-2-sulfinamide
- 영어명
- 2-PropanesulfinaMide, N-[(1R,2R)-2-[[[[3,5-bis(trifluoroMethyl)phenyl]aMino]carbonyl]aMino]cyclohexyl]-2-Methyl-, [S(R)]-
- 분자식
- C19H25F6N3O2S
- 분자량
- 473.48
이름 및 동의어
(R)-N-[(1R,2R)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)cyclohexyl]-tert-butyl-sulfinamide 96%(R)-N-((1R,2R)-2-(3-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)UREIDO)CYCLOHEXYL)-2-METHYLPROPANE-2-SULFINAMIDE2-PropanesulfinaMide, N-[(1R,2R)-2-[[[[3,5-bis(trifluoroMethyl)phenyl]aMino]carbonyl]aMino]cyclohexyl]-2-Methyl-, [S(R)]-(R)-N-[(1R,2R)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)cyclohexyl]-tert-butyl-sulfinamide
데이터베이스 식별자
- CAS
934762-68-2- PubChem CID
- 16061876
- DTXSID
DTXSID60581623- EC Number
- 693-386-0
물성
물리화학적 성질
- 녹는점
- 173 · 173-181°C
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.43 · 11.43±0.40(Predicted)
- 물리적 상태
- solid
- InChIKey
- WMIJNZVQFOPOBW-ZHANGXNJSA-N
- SMILES
- CC(C)(C)S(=O)N[C@@H]1CCCC[C@H]1NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- Hazard Classifications
- Aquatic Chronic 4
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(R)-N-[(1R,2R)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)cyclohexyl]-tert-butyl-sulfinamide is a sulfinamide-urea based chiral catalyst that can be used to synthesize: Enantioselective homoallylic amines by asymmetric allylation of acylhydrazones with allylindium reagents. Tetrahydroquinolines via an asymmetric Povarov reaction. 2-aryl-substituted cycloalkanones by enantioselective protonation of corresponding trimethylsilyl enol ethers.
공급사8 곳
Aladdin Scientific[email protected]
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