4-{[2-(2-{bis[4-(dimethylamino)-3,5-bis(propan-2-yl)phenyl]phosphanyl}-6-methoxyphenyl)-3-methoxyphenyl][4-(dimethylamino)-3,5-bis(propan-2-yl)phenyl]phosphanyl}-N,N-dimethyl-2,6-bis(propan-2-yl)aniline

• ChemBase编号: 141534
• 分子式: C70H100N4O2P2
• 平均质量: 1091.516122
• 单一同位素质量: 1090.73215172
• SMILES: CC(C)c1cc(cc(c1N(C)C)C(C)C)P(c1cccc(c1c1c(cccc1P(c1cc(c(c(c1)C(C)C)N(C)C)C(C)C)c1cc(c(c(c1)C(C)C)N(C)C)C(C)C)OC)OC)c1cc(c(c(c1)C(C)C)N(C)C)C(C)C
• Canonical SMILES: COc1cccc(c1c1c(OC)cccc1P(c1cc(C(C)C)c(c(c1)C(C)C)N(C)C)c1cc(C(C)C)c(c(c1)C(C)C)N(C)C)P(c1cc(C(C)C)c(c(c1)C(C)C)N(C)C)c1cc(C(C)C)c(c(c1)C(C)C)N(C)C
• InChI: InChI=1S/C70H100N4O2P2/c1-41(2)53-33-49(34-54(42(3)4)67(53)71(17)18)77(50-35-55(43(5)6)68(72(19)20)56(36-50)44(7)8)63-31-27-29-61(75-25)65(63)66-62(76-26)30-28-32-64(66)78(51-37-57(45(9)10)69(73(21)22)58(38-51)46(11)12)52-39-59(47(13)14)70(74(23)24)60(40-52)48(15)16/h27-48H,1-26H3
• InChIKey: SBQGDYGNDIQAIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[2-(2-{bis[4-(dimethylamino)-3,5-bis(propan-2-yl)phenyl]phosphanyl}-6-methoxyphenyl)-3-methoxyphenyl][4-(dimethylamino)-3,5-bis(propan-2-yl)phenyl]phosphanyl}-N,N-dimethyl-2,6-bis(propan-2-yl)aniline
• IUPAC传统名: 4-{[2-(2-{bis[4-(dimethylamino)-3,5-diisopropylphenyl]phosphanyl}-6-methoxyphenyl)-3-methoxyphenyl][4-(dimethylamino)-3,5-diisopropylphenyl]phosphanyl}-2,6-diisopropyl-N,N-dimethylaniline
• 别名: (S)-2,2′-二[双(3,5-二异丙基-4-二甲胺基苯基)膦]-6,6′-二甲氧基-1,1′-联苯; (S)-(6,6′-二甲氧联苯-2,2′-二基)二{双[3,5-二异丙基-4-(二甲胺基)苯基]膦}; (R)-2,2′-二[双(3,5-二异丙基-4-二甲胺基苯基)膦]-6,6′-二甲氧基-1,1′-联苯; (R)-(6,6′-二甲氧联苯-2,2′-二基)二{双[3,5-二异丙基-4-(二甲胺基)苯基]膦}; (S)-3,5-iPr-4-NMe2-MeOBIPHEP; SL-A107-2; (S)-2,2′-Bis[bis(3,5-diisopropyl-4-dimethylaminophenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl; (S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis{bis[3,5-diisopropyl-4-(dimethylamino)phenyl]phosphine}; (R)-3,5-iPr-4-NMe2-MeOBIPHEP; SL-A107-1; (R)-2,2′-Bis[bis(3,5-diisopropyl-4-dimethylaminophenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl; (R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis{bis[3,5-diisopropyl-4-(dimethylamino)phenyl]phosphine}

登记号

• CAS号: 352655-40-4; 919338-66-2
• MDL号: MFCD09753010
• PubChem SID: 162235768
• PubChem CID: 46910330

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 19.426645
• LogD (pH = 7.4): 19.94741
• Log P: 19.9552
• 摩尔折射率: 346.4912 cm^3
• 极化性: 133.17654 Å^3
• 极化表面积: 31.42 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97%
• 光学纯度: ee: ≥99%
• Empirical Formula (Hill Notation): C70H100N4O2P2

详细说明

Sigma Aldrich - 29529

General description
与 Solvias AG 联合销售
包装
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Atropisomeric MeOBIPHEP ligands

Sigma Aldrich - 29528

General description
与 Solvias AG 联合销售
包装
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Atropisomeric MeOBIPHEP ligands