기본 정보
- 표준 SMILES
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1- InChIKey
SACNIGZYDTUHKB-UHFFFAOYSA-N- 분자식
- C29H45P
- 평균 분자량
- 424.6 g/mol
- 단동위원소 질량
- 424.32588807
이름 및 식별자
- 우선 이름
- Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane
- IUPAC
- ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
- 현지명
- 2- 디 -t- 부틸 포스 피노 -2 ', 4', 6'- 트리 -i- 프로필 -1,1'- 비 페닐
- 영어명
- 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl
- 분자식
- C29H45P
- 분자량
- 424.64
이름 및 동의어
di-tert-butyl[2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphaneDi-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneRefChem:586116639-817-8564483-19-82-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenylDi-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphinetBuXPhos2-DI-T-BUTYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYLtert-Butyl XPhost-Bu XPhosMFCD06411306
이름 더 보기
2-디-t-부틸포스피노-2',4',6'-트리-i-프로필-1,1'-비페닐2-Di-tert-butylphosphino-2',4',6'-trisopropylbinphenylTERT-BUTYL X-PHOSDi-tert-butyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphinetBuXPhos 97%di-t-Bu-XPhos2&lsquo
t-butyl-Xphost-BuXPhosditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanedi-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphaneditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphaneC29H45P2-di-t-butylphosphino-2',4',6'-triisopropylbiphenyl2-di-t-butylphosphino-2',4',6'-tri-i-propyl-1,1'biphenyl
데이터베이스 식별자
- CAS
564483-19-8- PubChem CID
- 11618717
- DTXSID
DTXSID70469549- UNII
- 3J4DQ84YBE
- EC Number
- 639-817-8
- Nikkaji
- J1.911.670K、J3.173.455J、J3.189.879J
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 485
물리화학적 성질
- 녹는점
- 148 · 148-151 °C(lit.)
- 끓는 점
- 493.5 · 493.5±45.0 °C(Predicted)
- 저장 조건
- 2 · 2-8°C, protect from light, stored under nitrogen
- 용해도
- 톨루엔에 용해됨
- 물리적 상태
- 결정성 분말
- 색상
- 하얀색
- InChI
- InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
- InChIKey
- SACNIGZYDTUHKB-UHFFFAOYSA-N
- SMILES
- P(C(C)(C)C)(C(C)(C)C)C1=CC=CC=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C
화학적 성질
White to pale yellow
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 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 CategoriesAcute Tox. 4 (97.4%)
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 29310099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도suzuki reaction
일반 설명tBuXPhos [2-Di-tert-butylphosphino-2′,4′,6′-triisopropylbiphenyl] 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.
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