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기본 정보
- CAS
959979-30-7- 표준 SMILES
CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)(C)C- InChIKey
LTFFYVVCUVYZPE-GOSISDBHSA-N- 분자식
- C23H25F6N3OS
- 평균 분자량
- 505.528 g/mol
- 단동위원소 질량
- 505.16225274
이름 및 식별자
- 우선 이름
- N-Benzyl-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-N,3-dimethyl-L-valinamide
- IUPAC
- N-Benzyl-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-N,3-dimethyl-L-valinamide
- 영어명
- (2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide
- 분자식
- C23H25F6N3OS
- 분자량
- 505.52
이름 및 동의어
CID 75045704(R)-Ru(OAc)2(SEGPHOS(R))(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide(S)-N-benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide(S)-N-benzyl-2-(1-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide 97%(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-Nbenzyl- N,3,3-trimethylbutanamide,99%e.e.(2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide, 95%, (98% ee)1-((S)-1-(N-benzyl-N-methylcarbamoyl)-2,2-dimethylpropyl)-3-(3,5-bis(trifluoromethyl)phenyl)thiourea
데이터베이스 식별자
- CAS
959979-30-7- PubChem CID
- 44541120
- DTXSID
DTXSID80659277- EC Number
- 688-201-5
물성
물리화학적 성질
- 녹는점
- 147 · 147-152 °C
- 끓는 점
- 497.5 · 497.5±55.0 °C(Predicted)
- 밀도
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, protect from light, stored under nitrogen
- 산도 계수 (pKa)
- 11.41 · 11.41±0.70(Predicted)
- 물리적 상태
- solid
- InChIKey
- LTFFYVVCUVYZPE-GOSISDBHSA-N
- SMILES
- CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Versatile catalyst for reactions including the Mannich reaction.
일반 설명(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea organocatalyst developed by the Jacobsen′s group for asymmetric organic synthesis.
공급사23 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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