bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine bis({1-[2-(diphenylphosphanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl}diphenylphosphane) chloride hydrochloride

• ChemBase编号: 141221
• 分子式: C90H88Cl5NP4Ru2
• 平均质量: 1686.968464
• 单一同位素质量: 1685.23968474
• SMILES: CNC.c1ccc(cc1)P(c1ccccc1)c1ccc2c(c1c1c(ccc3c1CCCC3)P(c1ccccc1)c1ccccc1)CCCC2.c1ccc(cc1)P(c1ccccc1)c1ccc2c(c1c1c(ccc3c1CCCC3)P(c1ccccc1)c1ccccc1)CCCC2.Cl.[Cl-].[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2
• Canonical SMILES: [Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.CNC.Cl.[Cl-]
• InChI: InChI=1S/2C44H40P2.C2H7N.2ClH.3Cl.2Ru/c2*1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-3-2;;;;;;;/h2*1-12,19-26,29-32H,13-18,27-28H2;3H,1-2H3;2*1H;;;;;/q;;;;;3*+1;2*-1/p-1
• InChIKey: BQQWMTMUAYPPMV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine bis({1-[2-(diphenylphosphanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl}diphenylphosphane) chloride hydrochloride
• IUPAC传统名: bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide dimethylamine bis({1-[2-(diphenylphosphanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl}diphenylphosphane) chloride hydrochloride
• 别名: 二甲铵二氯三(μ-氯)二[(R)-(+)-2,2′-二(二苯基膦基)-5,5′,6,6′,7,7′,8,8′-八氢-1,1′-联萘基]二钌酸盐(II); 二甲铵二氯三(μ-氯)双[(S)-(-)-2,2′-双(二苯基膦基)-5,5′,6,6′,7,7′,8,8′-八氢-1,1′-联萘基]二钌酸盐(II); Dimethylammonium dichlorotri(μ-chloro)bis[(R)-(+)-2,2′-bis(diphenylphosphino)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl]diruthenate(II); (R)-[(RuCl(H8-BINAP))2(μ-Cl)3][NH2Me2]; Dimethylammonium dichlorotri(μ-chloro)bis[(S)-(-)-2,2′-bis(diphenylphosphino)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl]diruthenate(II); (S)-[(RuCl(H8-BINAP))2(μ-Cl)3][NH2Me2]

登记号

• CAS号: 944451-12-1; 204933-84-6
• MDL号: MFCD09753036
• PubChem SID: 162235456
• PubChem CID: 71310583

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): 12.297
• LogD (pH = 7.4): 12.297
• Log P: 12.297
• 摩尔折射率: 197.2884 cm^3
• 极化性: 78.32092 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false
• 质子受体: 0

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

• 线性分子式: (CH3)2NH2+[C88H80Cl5P4Ru2]-

详细说明

Sigma Aldrich - 692190

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 3445074
Application
Takasago Ligands and Complexes for Asymmetric Reactions

Sigma Aldrich - 693324

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 2681057