{4-[5-(diphenylphosphanyl)-2H-1,3-benzodioxol-4-yl]-2H-1,3-benzodioxol-5-yl}diphenylphosphane (acetyloxy)ruthenio acetate

• ChemBase编号: 141308
• 分子式: C42H34O8P2Ru
• 平均质量: 829.732082
• 单一同位素质量: 830.07724031
• SMILES: CC(=O)O[Ru]OC(=O)C.c1ccc(cc1)P(c1ccccc1)c1ccc2c(c1c1c(ccc3c1OCO3)P(c1ccccc1)c1ccccc1)OCO2
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c3OCOc3ccc1P(c1ccccc1)c1ccccc1)OCO2)c1ccccc1.CC(=O)O[Ru]OC(=O)C
• InChI: InChI=1S/C38H28O4P2.2C2H4O2.Ru/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-2(3)4;/h1-24H,25-26H2;2*1H3,(H,3,4);/q;;;+2/p-2
• InChIKey: BHGLLIGZFQVMBJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: {4-[5-(diphenylphosphanyl)-2H-1,3-benzodioxol-4-yl]-2H-1,3-benzodioxol-5-yl}diphenylphosphane (acetyloxy)ruthenio acetate
• IUPAC传统名: {4-[5-(diphenylphosphanyl)-2H-1,3-benzodioxol-4-yl]-2H-1,3-benzodioxol-5-yl}diphenylphosphane (acetyloxy)ruthenio acetate
• 别名: 二乙酸根[(R)-5,5′-二(二苯基膦基)-4,4′-联-1,3-苯并二噁唑]钌(II); R-Ru(OAc)2(SEGPHOS®); 二乙酸根[(S)-(-)-5,5′-二(二苯基膦基)-4,4′-联-1,3-苯并二噁唑]钌(II); Diacetato[(R)-5,5′-bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole]ruthenium(II); (R)-Ru(OAc)2(SEGPHOS®); Diacetato[(S)-(-)-5,5′-bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole]ruthenium(II); (S)-Ru(OAc)2(SEGPHOS®)

登记号

• CAS号: 944450-48-0; 373650-12-5
• MDL号: MFCD09753024
• PubChem SID: 162235542
• PubChem CID: 71310596

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 9.2196
• LogD (pH = 7.4): 9.2196
• Log P: 9.2196
• 摩尔折射率: 173.8578 cm^3
• 极化性: 70.072 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 10
• 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): C42H34O8P2Ru

详细说明

Sigma Aldrich - 693243

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 3148136
法律信息
SEGPHOS 注册商标 Takasago Intl. Corp.
Application
Takasago Ligands and Complexes for Asymmetric Reactions

Sigma Aldrich - 692174

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 3148136
法律信息
SEGPHOS 注册商标 Takasago Intl. Corp.
Application
Takasago Ligands and Complexes for Asymmetric Reactions