λ2-iron(2+) ion 3-[(1S)-1-(di-tert-butylphosphanyl)ethyl]-4-(dicyclohexylphosphanyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

• ChemBase编号: 139677
• 分子式: C32H52FeP2
• 平均质量: 554.547802
• 单一同位素质量: 554.28936242
• SMILES: C[C@@H](C1=C[CH-]C=C1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C.C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: [CH-]1C=CC=C1.C[C@H](P(C(C)(C)C)C(C)(C)C)C1=C[CH-]C=C1P(C1CCCCC1)C1CCCCC1.[Fe+2]
• InChI: InChI=1S/C27H47P2.C5H5.Fe/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h14,19-23H,8-13,15-18H2,1-7H3;1-5H;/q2*-1;+2/t21-;;/m0../s1
• InChIKey: XUGHPTFNSLEKBM-FGJQBABTSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1S)-1-(di-tert-butylphosphanyl)ethyl]-4-(dicyclohexylphosphanyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1S)-1-(di-tert-butylphosphanyl)ethyl]-4-(dicyclohexylphosphanyl)cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (2S)-1-[(1S)-1-[双(1,1-二甲基乙基)膦]乙基]-2-(二环己基膦)二茂铁（符合 CAS 标准）; (S)-1-[(RP)-2-(二环己基膦)二茂铁基]乙基二叔丁基膦; Josiphos SL-J009-2; (2S)-1-[(1S)-1-[Bis(1,1-dimethylethyl)phosphino]ethyl]-2-(dicyclohexylphosphino)ferrocene (acc to CAS); (S)-1-[(RP)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine

登记号

• MDL号: MFCD08561155
• PubChem SID: 162233925; 24889122
• PubChem CID: 71310276

理论计算性质

• Acid pKa: 15.842256
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.17732
• LogD (pH = 7.4): 5.1762257
• Log P: 7.3403
• 摩尔折射率: 137.2903 cm^3
• 极化性: 53.263836 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

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97%
• 光学纯度: ee: ≥99%
• Empirical Formula (Hill Notation): C32H52FeP2

详细说明

Sigma Aldrich - 88734

General description
与 Solvias AG 合作销售
包装
1, 5 g in glass bottle
100, 500 mg in glass bottle