(2-{2-[bis(3,4,5-trimethoxyphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(3,4,5-trimethoxyphenyl)phosphane

• ChemBase编号: 140746
• 分子式: C50H56O14P2
• 平均质量: 942.918762
• 单一同位素质量: 942.31452973
• SMILES: COc1cccc(c1c1c(cccc1P(c1cc(c(c(c1)OC)OC)OC)c1cc(c(c(c1)OC)OC)OC)OC)P(c1cc(c(c(c1)OC)OC)OC)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cccc(c1c1c(OC)cccc1P(c1cc(OC)c(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC)P(c1cc(OC)c(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C50H56O14P2/c1-51-33-17-15-19-43(65(29-21-35(53-3)47(61-11)36(22-29)54-4)30-23-37(55-5)48(62-12)38(24-30)56-6)45(33)46-34(52-2)18-16-20-44(46)66(31-25-39(57-7)49(63-13)40(26-31)58-8)32-27-41(59-9)50(64-14)42(28-32)60-10/h15-28H,1-14H3
• InChIKey: JZCMGMXFWZWFRX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{2-[bis(3,4,5-trimethoxyphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(3,4,5-trimethoxyphenyl)phosphane
• IUPAC传统名: (2-{2-[bis(3,4,5-trimethoxyphenyl)phosphanyl]-6-methoxyphenyl}-3-methoxyphenyl)bis(3,4,5-trimethoxyphenyl)phosphane
• 别名: (R)-2,2′-二[双(3,4,5-三甲氧基苯基)膦]-6,6′-二甲氧基-1,1′-联苯; (R)-(6,6′-二甲氧基联苯-2,2′-二基)二[双(3,4,5-三甲氧基苯基)膦]; (S)-2,2′-二[双(3,4,5-三甲氧基苯基)膦]-6,6′-二甲氧基-1,1′-联苯; (S)-(6,6′-二甲氧基联苯-2,2′-二基)二[双(3,4,5-三甲氧基苯基)膦]; (R)-3,4,5-MeO-MeOBIPHEP; SL-A104-1; (R)-2,2′-Bis[bis(3,4,5-trimethoxyphenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl; (R)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis[bis(3,4,5-trimethoxyphenyl)phosphine]; (S)-3,4,5-MeO-MeOBIPHEP; SL-A104-2; (S)-2,2′-Bis[bis(3,4,5-trimethoxyphenyl)phosphino]-6,6′-dimethoxy-1,1′-biphenyl; (S)-(6,6′-Dimethoxybiphenyl-2,2′-diyl)bis[bis(3,4,5-trimethoxyphenyl)phosphine]

登记号

• CAS号: 927396-01-8; 256390-47-3
• MDL号: MFCD09753007
• PubChem SID: 162234986
• PubChem CID: 21806702

理论计算性质

• 质子受体: 14
• 质子供体: 0
• LogD (pH = 5.5): 6.3132
• LogD (pH = 7.4): 6.3132
• Log P: 6.3132
• 摩尔折射率: 252.8088 cm^3
• 极化性: 100.34698 Å^3
• 极化表面积: 129.22 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): C50H56O14P2

详细说明

Sigma Aldrich - 29527

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 - 29526

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