λ1-rhodium(1+) ion 1-(3,5-dimethylphenyl)-3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dihydro-1H-pyrrole-2,5-dione cycloocta-1,5-diene tetrafluoroboranuide

• ChemBase编号: 135716
• 分子式: C32H45BF4NO2P2Rh
• 平均质量: 727.3628348
• 单一同位素质量: 727.20097523
• SMILES: [B-](F)(F)(F)F.Cc1cc(cc(c1)C)N1C(=O)C(=C(C1=O)P1[C@@H](CC[C@H]1C)C)P1[C@@H](CC[C@H]1C)C.C1C=CCCC=CC1.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.F[B-](F)(F)F.Cc1cc(C)cc(c1)N1C(=O)C(=C(C1=O)P1[C@H](C)CC[C@H]1C)P1[C@H](C)CC[C@H]1C.[Rh+]
• InChI: InChI=1S/C24H33NO2P2.C8H12.BF4.Rh/c1-14-11-15(2)13-20(12-14)25-23(26)21(28-16(3)7-8-17(28)4)22(24(25)27)29-18(5)9-10-19(29)6;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11-13,16-19H,7-10H2,1-6H3;1-2,7-8H,3-6H2;;/q;;-1;+1/t16-,17-,18-,19-;;;/m1.../s1
• InChIKey: RHNKFALODSEMQA-FZPVDGIPSA-N

名称和登记号

名称

• IUPAC标准名: λ^1-rhodium(1+) ion 1-(3,5-dimethylphenyl)-3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]-2,5-dihydro-1H-pyrrole-2,5-dione cycloocta-1,5-diene tetrafluoroboranuide
• IUPAC传统名: λ^1-rhodium(1+) ion 1,5-cyclooctadiene 1-(3,5-dimethylphenyl)-3,4-bis[(2R,5R)-2,5-dimethylphospholan-1-yl]pyrrole-2,5-dione tetrafluoroborate
• 别名: 3,4-双[(2R,5R)-2,5-二甲基磷烷基]-1-(3,5-二甲苯基]-1H-吡咯-2,5-二酮(1,5-环辛二烯)四氟硼酸铑(I); (-)-2,3-双[(2R,5R)-2,5-二甲基磷]-N-(3,5-二甲苯基)马来酰亚胺(1,5-环辛二烯)四氟硼酸铑(I); catASium® MNXyl(R)Rh; 3,4-Bis[(2R,5R)-2,5-dimethylphospholanyl]-1-(3,5-dimethylphenyl]-1H-pyrrol-2,5-dion(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (-)-2,3-Bis[(2R,5R)-2,5-dimethylphospholano]-N-(3,5-dimethylphenyl)maleimide(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

登记号

• MDL号: MFCD07782014
• PubChem SID: 162229989
• PubChem CID: 53485848

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1621637
• LogD (pH = 7.4): 3.162397
• Log P: 3.1624
• 摩尔折射率: 132.2811 cm^3
• 极化性: 47.595215 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95% (31P-NMR); 95%
• Empirical Formula (Hill Notation): C32H45BF4NO2P2Rh

详细说明

Sigma Aldrich - 669938

General description
与 Sovias AG 联合销售
包装
100 mg in glass bottle
Application
Essential Elements for Asymmetric Hydrogenations
法律信息
catASium 注册商标 Evonik Degussa GmbH