CAS 1160556-64-8 2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl[1,1'-biphenyl]-2,6-diamine (HCID 44156169)

기본 정보

CAS: 1160556-64-8
표준 SMILES: CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey: DRNAQRXLOSUHBQ-UHFFFAOYSA-N
분자식: C28H41N2P
평균 분자량: 436.6 g/mol
단동위원소 질량: 436.30073631

이름 및 식별자

우선 이름: 2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl[1,1'-biphenyl]-2,6-diamine
IUPAC: 2-(2-dicyclohexylphosphanylphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
현지명: 2-디사이클로헥실포스피노-2',6'-비스(디메틸라미노)-1,1'-바이페닐
영어명: CPhos
분자식: C28H41N2P
분자량: 436.61

이름 및 동의어

2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl[1,1'-biphenyl]-2,6-diamine2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl(1,1'-biphenyl)-2,6-diamineRefChem:439537CPhos1160556-64-82-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenylMFCD279785042'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-[1,1'-biphenyl]-2,6-diamine2-(2-dicyclohexylphosphanylphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine[1,1'-Biphenyl]-2,6-diamine, 2'-(dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-9D5DWS5PBX2-(2-dicyclohexylphosphanylphenyl)-n1,n1,n3,n3-tetramethyl-benzene-1,3-diamine

이름 더 보기

2-디사이클로헥실포스피노-2',6'-비스(디메틸라미노)-1,1'-바이페닐2-(Dicyanomethylen)indanphosphino-2',6'-bis(N,N-dimethyL2’-(Dicyclohexylphosphino)-2,6-di(dimethylamino)biphenyl2-DICYCLOHEXYLPHOSPHINO-2',6'-DIMETHYLAMINO-1,1'-BIPHENYL2-Dicyclohexylphosphino-2',6'-bis(diMethylaMino)-1,1'-bipheny2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl[1,1'-biphen

물성

구조 계산 물성

XLogP: 7
극성 표면적: 6.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 31
형식 전하: 0
복잡도: 489

물리화학적 성질

녹는점: 111 · 111-113°C
끓는 점: 592.8 · 592.8±50.0 °C(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 5.04 · 5.04±0.28(Predicted)
물리적 상태: 수정 같은
색상: 노란색-주황색
InChI: InChI=1S/C28H41N2P/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h11-13,18-23H,5-10,14-17H2,1-4H3
InChIKey: DRNAQRXLOSUHBQ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2P(C2CCCCC2)C2CCCCC2)=C(N(C)C)C=CC=C1N(C)C

안전 및 규제

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요CPhos, the full name of which is 2'-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl(1,1'-biphenyl)-2,6-diamine, is a highly efficient palladium catalyst with excellent cross-coupling activity and is widely used in organic synthesis and materials science.

용도CPhos, is used as a catalyst in the synthetic preparation of palladium-catalyzed Negishi coupling of secondary alkylzinc halides with aryl bromides and chlorides.