Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-(1,1'-biphenyl)-2-yl)phosphine

HCID 44233348

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1160861-53-9
표준 SMILES: COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIKey: REWLCYPYZCHYSS-UHFFFAOYSA-N
분자식: C31H49O2P
평균 분자량: 484.7 g/mol
단동위원소 질량: 484.34701744

이름 및 식별자

우선 이름: Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-(1,1'-biphenyl)-2-yl)phosphine
IUPAC: ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
영어명: tBuBrettPhos
분자식: C31H49O2P
분자량: 484.69

이름 및 동의어

Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphineDi-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-(1,1'-biphenyl)-2-yl)phosphineRefChem:586115811-756-31160861-53-9tBuBrettPhostert-ButylBrettPhosDI-TERT-BUTYL(2',4',6'-TRIISOPROPYL-3,6-DIMETHOXYBIPHENYL-2-YL)PHOSPHINEMFCD13181930C31H49O2Pditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanePhosphine, [3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]bis(1,1-dimethylethyl)-

이름 더 보기

t-butylBrettPhosdi-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphane2-(Di-tert-butylphosphino)-2′,4′,6′- triisopropyl-3,6-dimethoxy-1,1′-biphenyltBuBrettPhos 97%tertButylBrettPhos-3,6-dimethoxybiphenyLtBuBrettPhos ChemBeads

DTXSID706579892-(Di-t-butylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl2-(DI-TERT-BUTYLPHOSPHINO)-2',4',6'-TRIISOPROPYL-3,6-DIMETHOXY-1,1'-BIPHENYLMB12376AS-19329D5663t-BuBrettPhosditert-butyl-[3,6-dimethoxy-2-(2,4,6-triisopropylphenyl)phenyl]phosphane

데이터베이스 식별자

CAS: 1160861-53-9
PubChem CID: 44233348
DTXSID: DTXSID70657989
EC Number: 811-756-3
Nikkaji: J2.772.772G、J3.381.095D

물성

구조 계산 물성

XLogP: 8.4
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 9
무거운 원자 수: 34
형식 전하: 0
복잡도: 582

물리화학적 성질

녹는점: 166 · 166-170°C
끓는 점: 534.9 · 534.9±50.0 °C(Predicted)
저장 조건: 2 · 2-8°C, protect from light, stored under nitrogen
물리적 상태: 수정 같은
색상: 하얀색
InChI: InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3
InChIKey: REWLCYPYZCHYSS-UHFFFAOYSA-N
SMILES: P(C1=C(OC)C=CC(OC)=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)(C(C)(C)C)C(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2931.90.6000
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도Buchwald Phosphine Ligands for chemical Synthesis

일반 설명tBuBrettPhos is a dialkylbiaryl phosphine ligand developed by the Buchwald group. It promotes cross-coupling reactions more efficiently and exhibits improved reactivity compared to other catalytic systems.