N-[3,5-비스(트리플루오로메틸)페닐]-N'-[(9R)-6'-메톡시신코난-9-일]-티오우레아
N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(3alpha)-6'-methoxycinchonan-9-yl]thiourea
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기본 정보
- CAS
852913-25-8- 표준 SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccc(OC)cc12- InChIKey
IQMKPBFOEWWDIQ-ZRJNXXGPSA-N- 분자식
- C29H28F6N4OS
- 평균 분자량
- 594.625 g/mol
- 단동위원소 질량
- 594.18880184
이름 및 식별자
- 우선 이름
- N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(3alpha)-6'-methoxycinchonan-9-yl]thiourea
- IUPAC
- N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1xi,9R)-6'-methoxy-3alpha-cinchonan-9-yl]thiourea
- 현지명
- N-[3,5-비스(트리플루오로메틸)페닐]-N'-[(9R)-6'-메톡시신코난-9-일]-티오우레아
- 영어명
- N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- Thiourea
- 분자식
- C29H28F6N4OS
- 분자량
- 594.61
이름 및 동의어
N-[3,5-비스(트리플루오로메틸)페닐]-N'-[(9R)-6'-메톡시신코난-9-일]-티오우레아1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thioureaN-[3，5-di(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxy-9-yl]thioureaN-[3,5-Bis(trifluoroMethyl)phenyl]-N′-[(9R)-6′-Methoxy-9-cinchonanyl]thioureaN-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(9R)-6'-Methoxycinchonan-9-yl]- ThioureaThiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxycinchonan-9-yl]-N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxy-9-cinchonanyl]thiourea >=90.0%N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(9R)-6'-methoxyci nchonan-9-yl]thiourea,99%d.e.1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinucliN-[3,5-bis(trifluoroMethyl)phenyl]-N''-[(9R)-6''-Methoxycinchonan-9-yl]- Thiourea, 10 mM in DMSO1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin
데이터베이스 식별자
- CAS
물성
물리화학적 성질
- 녹는점
- 150 °C · 150 °C (decomp)
- 끓는 점
- 598.2 · 598.2±60.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- lumps
- 산도 계수 (pKa)
- 11.39 · 11.39±0.70(Predicted)
- InChIKey
- IQMKPBFOEWWDIQ-ZRJNXXGPSA-N
- SMILES
- COc1ccc2nccc([C@@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C4CC5CCN4C[C@@H]5C=C)c2c1
화학적 성질
Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 29339900
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(9R)-6′-methoxy-9-cinchonanyl]thiourea may be used to catalyze the formation of optically active Mannich adducts from stable N-carbamate amido sulfones via enantioselective Mannich reaction.
일반 설명The product is a cinchona-alkaloid-derived, bifunctional catalyst containing a thiourea group at position 9.
관련 반응
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