(1-{2-[bis(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(3,5-dimethylphenyl)phosphane; (1S,2S)-1,2-diphenylethane-1,2-diamine; dichlororuthenium

• ChemBase编号: 141009
• 分子式: C66H64Cl2N2P2Ru
• 平均质量: 1119.151282
• 单一同位素质量: 1118.29652768
• SMILES: Cc1cc(cc(c1)P(c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)C.c1ccc(cc1)[C@@H]([C@H](c1ccccc1)N)N.Cl[Ru]Cl
• Canonical SMILES: N[C@H]([C@H](c1ccccc1)N)c1ccccc1.Cc1cc(C)cc(c1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)cccc2)c1cc(C)cc(c1)C.Cl[Ru]Cl
• InChI: InChI=1S/C52H48P2.C14H16N2.2ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-32H,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.0.../s1
• InChIKey: HYMSONXJNGZZBM-LISIALKWSA-L

名称和登记号

名称

• IUPAC标准名: (1-{2-[bis(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(3,5-dimethylphenyl)phosphane; (1S,2S)-1,2-diphenylethane-1,2-diamine; dichlororuthenium
• IUPAC传统名: (1-{2-[bis(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(3,5-dimethylphenyl)phosphane; dichlororuthenium; diphenylethylenediamine
• 别名: 二氯[(S)-(-)-2,2′-二[二(3,5-二甲苯基)膦基]-1,1′-联萘基][(1S,2S)-(-)-1,2-二苯基乙烯二胺]钌(II); Dichloro[(S)-(-)-2,2′-bis[di(3,5-xylyl)phosphino]-1,1′-binaphthyl][(1S,2S)-(-)-1,2-diphenylethylenediamine]ruthenium(II); RuCl2[(S)-(DM-BINAP)][(S,S)-DPEN]

登记号

• CAS号: 220114-03-4
• MDL号: MFCD09753030
• PubChem SID: 162235245
• PubChem CID: 11136945

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 15.593
• LogD (pH = 7.4): 15.593
• Log P: 15.593
• 摩尔折射率: 235.554 cm^3
• 极化性: 94.75567 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C66H64Cl2N2P2Ru

详细说明

Sigma Aldrich - 693251

包装
50, 100 mg in glass bottle
Legal Information
与 Takasago 合作销售，仅用于研究目的。日本注册号 2041996、2731377、2935453，日本申请号 19970359654
Application
Takasago Ligands and Complexes for Asymmetric Reactions