λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene (2S,5S)-1-{2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethylphospholane trifluoromethanesulfonate

• ChemBase编号: 141321
• 分子式: C31H48F3O3P2RhS
• 平均质量: 722.6242516
• 单一同位素质量: 722.18065332
• SMILES: CC[C@@H]1P([C@H](CC1)CC)c1c(cccc1)P1[C@H](CC[C@@H]1CC)CC.C1C=CCCC=CC1.C(S(=O)(=O)[O-])(F)(F)F.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.FC(S(=O)(=O)[O-])(F)F.CC[C@H]1CC[C@@H](P1c1ccccc1P1[C@@H](CC)CC[C@@H]1CC)CC.[Rh+]
• InChI: InChI=1S/C22H36P2.C8H12.CHF3O3S.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/q;;;+1/p-1/t17-,18-,19-,20-;;;/m0.../s1
• InChIKey: HZLILTNLWVOBFS-FGOMORKPSA-M

名称和登记号

名称

• IUPAC标准名: λ^1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene (2S,5S)-1-{2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethylphospholane trifluoromethanesulfonate; λ^1-rhodium(1+) ion (2S,5S)-1-{2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethylphospholane cycloocta-1,5-diene trifluoromethanesulfonate
• IUPAC传统名: λ^1-rhodium(1+) ion (2S,5S)-1-{2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethylphospholane 1,5-cyclooctadiene, (Z,Z)- triflate; λ^1-rhodium(1+) ion (2S,5S)-1-{2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl}-2,5-diethylphospholane 1,5-cyclooctadiene triflate
• 别名: (+)-1,2-双((2S,5S)-2,5-二乙基膦)苯(环辛二烯)三氟甲磺酸铑(I); 1,2-双[(2S,5S)-2,5-二乙基膦烷基]苯(1,5-环辛二烯)三氟甲磺酸铑(I); (+)-1,2-Bis((2S,5S)-2,5-diethylphospholano)benzene(cyclooctadiene)rhodium(I) trifluoromethanesulfonate; (S,S)-Et-DUPHOS-Rh; 1,2-Bis[(2S,5S)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate

登记号

• CAS号: 142184-30-3
• MDL号: MFCD00269861
• PubChem SID: 162235555
• PubChem CID: 11146978

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.78217
• LogD (pH = 7.4): 6.0301037
• Log P: 6.0478
• 摩尔折射率: 108.7338 cm^3
• 极化性: 43.824978 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Crystalline, Packaged under argon

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 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
• TSCA收录: 否
• 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

• Empirical Formula (Hill Notation): C31H48F3O3P2RhS

详细说明

Sigma Aldrich - 698407

包装
50, 250 mg in glass bottle
Legal Information
与 Kanata Chemical Technologies Inc. 联合销售，仅供研究使用。这些化合物由 E.I. du Pont de Nemours and Company 授权制造和销售，此许可不包括利用这些化合物制备在制药领域销售的产品的权利。
Application
DuPhos and BPE Ligands: Highly Efficient Privileged LigandsCatalyst involved in:
• Oxidation of the δ-position via ruthenium catalysis1
• Stereoselective hydrogenation reactions of dehydroamino acid esters2 and macrocyclic peptideomimetics3
• Synthesis of cyclopeptide alkaloid mucronine E4, fluoro-containing amino acids5, and labeled protease inhibitors6