λ1-rhodium(1+) ion cycloocta-1,5-diene tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane tetrafluoroboranuide

• ChemBase编号: 142686
• 分子式: C22H44BF4P2Rh
• 平均质量: 560.2423948
• 单一同位素质量: 560.20024695
• SMILES: [B-](F)(F)(F)F.CC(P(CP(C(C)(C)C)C(C)(C)C)C)(C)C.C1C=CCCC=CC1.[Rh+]
• Canonical SMILES: C1CC=CCCC=C1.F[B-](F)(F)F.CP(C(C)(C)C)CP(C(C)(C)C)C(C)(C)C.[Rh+]
• InChI: InChI=1S/C14H32P2.C8H12.BF4.Rh/c1-12(2,3)15(10)11-16(13(4,5)6)14(7,8)9;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11H2,1-10H3;1-2,7-8H,3-6H2;;/q;;-1;+1
• InChIKey: CQCAQRWECWCUBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^1-rhodium(1+) ion cycloocta-1,5-diene tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane tetrafluoroboranuide
• IUPAC传统名: λ^1-rhodium(1+) ion 1,5-cyclooctadiene tert-butyl[(di-tert-butylphosphanyl)methyl]methylphosphane tetrafluoroborate
• 别名: R-(叔丁基甲基膦-二叔丁基膦甲烷)-η4-(1,5-环辛二烯)四氟硼酸铑(I); R[Rh(cod)TCFP]BF4; R-[Rh cod TCFP]BF4; R-(tert-Butylmethylphosphino-di-tert-butylphosphinomethane)-η4-(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

登记号

• MDL号: MFCD11973806
• PubChem SID: 162236912
• PubChem CID: 71310776

理论计算性质

• 摩尔折射率: 88.3985 cm^3
• 极化性: 31.977505 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.9167237
• LogD (pH = 7.4): 2.1984067
• Log P: 3.4496

分子性质

理化性质

• 熔点: 171-177 °C

安全信息

• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 96%
• Empirical Formula (Hill Notation): C22H44P2Rh

详细说明

Sigma Aldrich - 704628

Application
可用于胺、酮和不饱和酸的不对称还原反应1,2,3
包装
100 mg in glass bottle
Legal Information
与 Johnson Matthey 联合销售，仅供研究目的。