2- 디시 클로 헥실 포스 피노 -2 ', 6'- 디메 톡시 -1,1'- 비 페닐

2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl

HCID 11269872CAS 657408-07-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey: VNFWTIYUKDMAOP-UHFFFAOYSA-N
분자식: C26H35O2P
평균 분자량: 410.5 g/mol
단동위원소 질량: 410.23746699

이름 및 식별자

우선 이름: 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
IUPAC: dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane
현지명: 2- 디시 클로 헥실 포스 피노 -2 ', 6'- 디메 톡시 -1,1'- 비 페닐
영어명: 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
분자식: C26H35O2P
분자량: 410.53

이름 및 동의어

657408-07-62-Dicyclohexylphosphino-2',6'-dimethoxybiphenylSphos phosphine ligand [MI]XI1MQ32186UNII-XI1MQ32186Buchwald phosphine ligands, sphos phosphine ligand-DTXSID90460730Phosphine, dicyclohexyl(2',6'-dimethoxy(1,1'-biphenyl)-2-yl)-Phosphine, dicyclohexyl(2',6'-dimethoxy[1,1'-biphenyl]-2-yl)-RefChem:86777SPHOS PHOSPHINE LIGANDDTXCID30411549

이름 더 보기

2-디시클로헥실포스피노-2',6'-디메톡시-1,1'-비페닐dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphane98% SPhos2-Dicyclohexylphosphino-2',6'-dimethoxybipheny6´NS-PHOSSPhos 97%SPhos, >=98%SPhos ChemBeads

613-838-2SPhosS-PhosDicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphineDicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphaneMFCD058616112-Dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl(1S)-Dicyclohexyl(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

데이터베이스 식별자

CAS: 657408-07-6
PubChem CID: 11269872
DTXSID: DTXSID90460730
UNII: XI1MQ32186
EC Number: 613-838-2
Nikkaji: J2.040.271G、J2.593.256K、J3.715.842I

물성

구조 계산 물성

XLogP: 6.7
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 29
형식 전하: 0
복잡도: 441

물리화학적 성질

녹는점: 164 · 164-166°C
끓는 점: 513.3 · 513.3±40.0 °C(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 수정 같은
색상: 하얀색
InChI: InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3
InChIKey: VNFWTIYUKDMAOP-UHFFFAOYSA-N
SMILES: P(C1CCCCC1)(C1CCCCC1)C1=CC=CC=C1C1=C(OC)C=CC=C1OC

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 2931499090
risk_code: 40
hazard_code: Xn
safety_code: 24/25-36/37
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도suzuki reaction

일반 설명SPhos [2-Dicyclohexylphosphino-2′, 6′-dimethoxybiphenyl] is an air-stable, electron-rich biaryl phosphine ligand developed by the Buchwald group to enhance the reactivity of palladium catalysis during cross-coupling reactions.