HRID 1298928촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
기본 정보
- CAS
138517-61-0- 표준 SMILES
O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1- InChIKey
AXMSEDAJMGFTLR-XRSDMRJBSA-N- 분자식
- C44H40N2O2P2
- 평균 분자량
- 690.7 g/mol
- 단동위원소 질량
- 690.25650252
이름 및 식별자
- 우선 이름
- Trost Ligand
- IUPAC
- 2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
- 현지명
- (R, R) -DACH- 페닐 트 러스트 리간드
- 영어명
- (1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-diphenylphosphinobenzoyl)
- 분자식
- C44H40N2O2P2
- 분자량
- 690.75
이름 및 동의어
138517-61-0Trost ligandDTXSID80894121RefChem:192277DTXCID301324240(R,R)-DACH-phenyl Trost ligandMFCD01631273Benzamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-(R)-Trost ligand(R,R)-Trost ligand(R,R)-Dppba(1R,2R)-(+)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2'-DIPHENYLPHOSPHINOBENZOYL)
이름 더 보기
(R,R)-DACH-페닐트러스트리간드(1R,2R)-Trost ligand(1R,2R)-(+)-1,2-TROST LIGAND1R,2R- DHAC-Phenyl Trost Ligand(R,R)-DACH-phenyl Trost ligand 95%(1R,2R)-(+)-1,2-Diaminocyclohexane-N,N'-bis(2'-di-phenylphos...N,N'-(1R,2R)-1,2-Cyclohexanediylbis[2-(diphenylphosphino)benzamideN,N'-(1R,2R)-1,2-Cyclohexanediylbis[2-(diphenylphosphi no)benzamide]
2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamideTrost ligand, (R,R)-M4RRX95R5F(1R,2R)-N,N'-(Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide)(1R,2R)-1,2-Bis((2-(diphenylphosphino)benzoyl)amino)cyclohexane(1R,2R)-1,2-Bis((2-(diphenylphosphanyl)benzoyl)amino)cyclohexane(1R,2R)-N,N-Bis(O-(diphenylphosphino)benzoyl)cyclohexane-1,2-diamineN,N-(1R,2R)-1,2-Cyclohexanediylbis(2-(diphenylphosphino)benzamide)
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 58.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 929
물리화학적 성질
- 녹는점
- 134 · 134-136°C
- 끓는 점
- 817 · 817.0±65.0 °C(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 13.35 · 13.35±0.40(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- InChIKey
- AXMSEDAJMGFTLR-UHFFFAOYSA-N
- SMILES
- C1(NC(=O)C2=CC=CC=C2P(C2=CC=CC=C2)C2=CC=CC=C2)CCCCC1NC(=O)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Trost Ligands for Asymmetric Allylic Alkylation
공급사93 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京颖诺凯胜科技有限公司010-56541685 13070143590 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏欣诺科催化剂股份有限公司
관련 반응
192건
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