2-{ビス[3,5-ビス(トリフルオロメチル)フェニル]ホスフィノ}-3,6-ジメトキシ-2',4',6'-トリイソプロピル-1,1'-ビフェニル

Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane

HCID 44597232CAS 1160861-60-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(OC)c(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIKey: KYTUFIMHJNRPLC-UHFFFAOYSA-N
分子式: C39H37F12O2P
平均分子量: 796.7 g/mol
単同位体質量: 796.23395569

名称と識別子

優先名称: Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane
IUPAC: bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
現地名: 2-{ビス[3,5-ビス(トリフルオロメチル)フェニル]ホスフィノ}-3,6-ジメトキシ-2',4',6'-トリイソプロピル-1,1'-ビフェニル
英語名: 2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2′,4′,6′-triisopropyl-1,1′-biphenyl 95%
分子式: C39H37F12O2P
分子量: 796.67

名称と別名

1160861-60-8DTXSID50659623Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphaneBis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphaneRefChem:1079940DTXCID70610372Bis(3,5-bis(trifluoromethyl)phenyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphineJackiePhosbis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphaneMFCD17015286Phosphine, bis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]-2-Di[3,5-bis(trifluoromethyl)phenylphosphino]-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl

名称をさらに表示

2-{ビス[3,5-ビス(トリフルオロメチル)フェニル]ホスフィノ}-3,6-ジメトキシ-2',4',6'-トリイソプロピル-1,1'-ビフェニルJackiePhos 95%Bis(3,5-bis(trifluoromethyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)2-Di[3,5-bis(trifluoromethyl)phenylphosphino]-3,6-dimethoxy-...2-Bis[3,5-dibutylphosphinyl]-3,6-dimethoxy-2',4',6'-tripropyl-1,1'-biphenyl2-[3,5-Bis(trifluoroMethyl)phenylphosphino]-3,6-diMethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyBis(3,5-bis(trifluoromethyl)phenyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)pBis[3,5-bis(trifluoromethyl)phenyl](2',4',6'-triisopropyl-3,6-dimethoxy-2-biphenylyl)phosphine

2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl 95%BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL][3,6-DIMETHOXY-2',4',6'-TRIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2-YL]PHOSPHINEC39H37F12O2PJackiePhos, 95%Phosphine, bis[3,5-bis(triflSCHEMBL14782194SCHEMBL293784282-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropyl-1,1 inverted exclamation marka-biphenyl

データベース識別子

CAS: 1160861-60-8
PubChem CID: 44597232
DTXSID: DTXSID50659623
Nikkaji: J2.788.339G

物性

構造計算による物性

XLogP: 13.1
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 14
回転可能結合数: 9
重原子数: 54
形式電荷: 0
複雑度: 1,070

物理化学的性質

融点: 185 · 185-190°C
沸点: 599.4 · 599.4±50.0 °C(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light, stored under nitrogen
外見: 結晶
色: 白い
InChIKey: KYTUFIMHJNRPLC-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(c1P(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)-c4c(cc(cc4C(C)C)C(C)C)C(C)C