2- (디 -t- 부틸 포스 피노)) -1,1'- 비 페닐

2-(Di-tert-butylphosphino)biphenyl

HCID 2734215

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 224311-51-7
표준 SMILES: CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChIKey: CNXMDTWQWLGCPE-UHFFFAOYSA-N
분자식: C20H27P
평균 분자량: 298.4 g/mol
단동위원소 질량: 298.18503749

이름 및 식별자

우선 이름: 2-(Di-tert-butylphosphino)biphenyl
IUPAC: ditert-butyl-(2-phenylphenyl)phosphane
현지명: 2- (디 -t- 부틸 포스 피노)) -1,1'- 비 페닐
영어명: 2-(Di-tert-butylphosphino)biphenyl
분자식: C20H27P
분자량: 298.4

이름 및 동의어

2-(Di-tert-butylphosphino)biphenyl224311-51-7Johnphos phosphine ligand [MI]UNII-5Y743P380Hdi(tert-butyl)(1,1'-biphenyl-2-yl)phosphine5Y743P380H(1,1'-Biphenyl)-2-ylbis(1,1-dimethylethyl)phosphineBuchwald phosphine ligands, johnphos phosphine ligand-Phosphine, (1,1'-biphenyl)-2-ylbis(1,1-dimethylethyl)-DTXSID50370169PHOSPHINE, [1,1'-BIPHENYL]-2-YLBIS(1,1-DIMETHYLETHYL)-RefChem:84656

이름 더 보기

2-(디-t-부틸포스피노))-1,1'-비페닐JnhnPhos2-(Di-tert-butylphosphino)-1,1'-biphenyl98% JohnPhosJohnPhos 97%2-(Di-t-butyL

JOHNPHOS PHOSPHINE LIGANDDTXCID80321205607-074-9JohnPhosditert-butyl-(2-phenylphenyl)phosphane(2-Biphenyl)di-tert-butylphosphineBIPHENYL-2-YL-DI-TERT-BUTYL-PHOSPHANE2-(DI-T-BUTYLPHOSPHINO)BIPHENYL

데이터베이스 식별자

CAS: 224311-51-7
PubChem CID: 2734215
DTXSID: DTXSID50370169
UNII: 5Y743P380H
EC Number: 607-074-9
Nikkaji: J1.124.970A、J3.246.742C、J3.255.696E

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 300

물리화학적 성질

녹는점: 86 · 86-88 °C (lit.)
끓는 점: 405.5 · 405.5±24.0 °C(Predicted)
밀도: 1 g/cm3 · 1 g/cm3
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름 (약간 용해됨), 디클로로메탄 (약간 용해됨), DMSO(약간 용해됨,가열, 초음파 처리)
물리적 상태: 결정 또는 결정성 분말
색상: 하얀색
수용성: 불용성
BRN: 8322131 · 8322131
안정성: 공기에 민감한
InChI: InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
InChIKey: CNXMDTWQWLGCPE-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1C1=CC=CC=C1)(C(C)(C)C)C(C)(C)C

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesAcute Tox. 4 (10.6%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29029090
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 36/37/39-26-22
위험 등급: AIR SENSITIVE
F 고인화성물질: 10-23
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-(Di-tert-butylphosphino)biphenyl (also known as JohnPhos) is a Buchwald ligand that is highly efficient in palladium-catalyzed reactions.

일반 설명JohnPhos is a Buchwald′s sterically bulky biaryl phosphine ligand. It is a reactive dialkylbiaryl phosphine ligand which catalyzes the carbon-nitrogen bond-forming reactions. Coordination chemistry of gold catalysts bearing JohnPhos as ligand has been investigated by NMR spectroscopy.