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

• ChemBase编号: 142956
• 分子式: C32H40FeP2
• 平均质量: 542.452522
• 单一同位素质量: 542.19546204
• 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/C27H35P2.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;/h8-21H,1-7H3;1-5H;/q2*-1;+2/t21-;;/m1../s1
• InChIKey: OHWWNYSXSGMTSB-GHVWMZMZSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1R)-1-(di-tert-butylphosphanyl)ethyl]-4-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1R)-1-(di-tert-butylphosphanyl)ethyl]-4-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (2R)-1-[(1R)-1-[双(1,1-二甲基乙基)膦基]乙基]-2-(二苯基膦)二茂铁（符合 CAS 标准）; (R)-1-[(SP)-2-(二苯基膦基)二茂铁]乙基二叔丁基膦; Josiphos SL-J002-1; (2R)-1-[(1R)-1-[Bis(1,1-dimethylethyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene (acc to CAS); (R)-1-[(SP)-2-(Diphenylphosphino)ferrocenyl]ethyldi-tert-butylphosphine

登记号

• CAS号: 155830-69-6
• MDL号: MFCD01074442
• PubChem SID: 24888987; 162237182
• PubChem CID: 53312474

理论计算性质

• Acid pKa: 12.949792
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1205077
• LogD (pH = 7.4): 5.1287317
• Log P: 7.3185
• 摩尔折射率: 134.9155 cm^3
• 极化性: 51.8701 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): C32H40FeP2

详细说明

Sigma Aldrich - 88719

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