λ2-iron(2+) ion 3-[(1S)-1-[(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

• ChemBase编号: 140755
• 分子式: C44H48FeP2
• 平均质量: 694.644442
• 单一同位素质量: 694.2580623
• SMILES: C[C@@H](C1=C[CH-]C=C1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1C[C@H]2CC[C@@H]1C2)C1C[C@@H]2CC[C@H]1C2.C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: [CH-]1C=CC=C1.C[C@@H](C1=C[CH-]C=C1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1C[C@@H]2C[C@H]1CC2)C1C[C@H]2C[C@@H]1CC2.[Fe+2]
• InChI: InChI=1S/C39H43P2.C5H5.Fe/c1-27(40(38-25-28-19-21-30(38)23-28)39-26-29-20-22-31(39)24-29)34-16-10-17-35(34)36-15-8-9-18-37(36)41(32-11-4-2-5-12-32)33-13-6-3-7-14-33;1-2-4-5-3-1;/h2-18,27-31,38-39H,19-26H2,1H3;1-5H;/q2*-1;+2/t27-,28-,29+,30+,31-,38?,39?,40?;;/m0../s1
• InChIKey: RDGYBXJBPSJRKW-FUCBVGRKSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1S)-1-[(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1S)-1-[(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1R)-1-[(1S)-1-[双(二环[2.2.1]庚-2-基)膦]乙基]-2-[2-(二苯基膦)苯基]二茂铁（符合 CAS 标准）; (S)-1-{(SP)-2-[2-(二苯基膦)苯基]二茂铁基}乙基二(2-冰片基)膦; Walphos SL-W022-2; (1R)-1-[(1S)-1-[Bis(bicyclo[2.2.1]hept-2-yl)phosphino]ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene (acc to CAS); (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(2-norbornyl)phosphine

登记号

• CAS号: 849925-45-7
• MDL号: MFCD08561130
• PubChem SID: 24884245; 162234995
• PubChem CID: 71310515

理论计算性质

• Acid pKa: 11.56153
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.031409
• LogD (pH = 7.4): 9.032156
• Log P: 10.3865
• 摩尔折射率: 179.6045 cm^3
• 极化性: 71.02915 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 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): C44H48FeP2

详细说明

Sigma Aldrich - 65686

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