2- (디시 클로 헥실 포스 피노) -2 '- (N, N- 디메틸 아미노)) -1,1'- 비 페닐

2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl

HCID 2734217CAS 213697-53-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey: ZEMZPXWZVTUONV-UHFFFAOYSA-N
분자식: C26H36NP
평균 분자량: 393.5 g/mol
단동위원소 질량: 393.25853678

이름 및 식별자

우선 이름: 2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl
IUPAC: 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
현지명: 2- (디시 클로 헥실 포스 피노) -2 '- (N, N- 디메틸 아미노)) -1,1'- 비 페닐
영어명: 2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl
분자식: C26H36NP
분자량: 393.54

이름 및 동의어

2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl2'-(dicyclohexylphosphino)-N,N-dimethyl[1,1'-biphenyl]-2-amine2'-(Dicyclohexylphosphino)-N,N-dimethyl(1,1'-biphenyl)-2-amineRefChem:460558606-749-5213697-53-12-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenylDavePhos2'-(DICYCLOHEXYLPHOSPHINO)-N,N-DIMETHYL-[1,1'-BIPHENYL]-2-AMINEMFCD021835722-dicyclohexylphosphino-2'-(dimethylamino)biphenyl2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline

이름 더 보기

2-(디시클로헥실포스피노)-2'-(N,N-디메틸아미노))-1,1'-비페닐N-[2'-(dicyclohexylphosphino)-1,1'-biphenyl-2-yl]-N,N-diMethylaMine2-(N,N-Dimethylamino)-2-(dicyclohexylphosphino)biphenylDavePhos 2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenylDavep2-(Dicycloh98% DavePhos

C26H36NP2'-(dicyclohexylphosphanyl)-N,N-dimethyl-[1,1'-biphenyl]-2-amine2'-(dicyclohexylphosphino)-n,n-dimethylbiphenyl-2-amineUNII-9877ONU78FDavephos phosphine ligand [MI]DTXSID203701719877ONU78F2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethyl-aniline

데이터베이스 식별자

CAS: 213697-53-1
PubChem CID: 2734217
DTXSID: DTXSID20370171
UNII: 9877ONU78F
EC Number: 606-749-5
Nikkaji: J1.009.873D、J3.446.379D

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 433

물리화학적 성질

녹는점: 121 · 121-124 °C(lit.)
끓는 점: 539.6 · 539.6±43.0 °C(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 5.04 · 5.04±0.18(Predicted)
물리적 상태: 수정 같은
색상: 하얀색
수용성: 불용성
InChI: InChI=1S/C26H36NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-22H,3-8,13-16H2,1-2H3
InChIKey: ZEMZPXWZVTUONV-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2P(C2CCCCC2)C2CCCCC2)=CC=CC=C1N(C)C

화학적 성질

white to light yellow crystals or

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29310099
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: AIR SENSITIVE
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl is a potent inhibitor of the enzyme bromodomain. Bromodomain has been implicated in cancer and other diseases. It binds to the bromodomain in a covalent manner, blocking the ATP site and inhibiting bromodomain function. This inhibition has been shown to be selective for bromodomains over other domains.

용도2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl can act as ligand used in the palladium-catalyzed Suzuki coupling and amination of unactivated aryl chlorides.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

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