λ2-iron(2+) ion 3-[(1R)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-{2-[bis(3,5-dimethylphenyl)phosphanyl]phenyl}cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

• ChemBase编号: 140756
• 分子式: C50H52FeP2
• 平均质量: 770.740402
• 单一同位素质量: 770.28936242
• SMILES: Cc1cc(cc(c1)P(c1ccccc1C1=C[CH-]C=C1[C@@H](C)P(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)C.C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: [CH-]1C=CC=C1.Cc1cc(C)cc(c1)P([C@@H](C1=C[CH-]C=C1c1ccccc1P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)C)c1cc(C)cc(c1)C.[Fe+2]
• InChI: InChI=1S/C45H47P2.C5H5.Fe/c1-29-17-30(2)22-38(21-29)46(39-23-31(3)18-32(4)24-39)37(9)42-14-12-15-43(42)44-13-10-11-16-45(44)47(40-25-33(5)19-34(6)26-40)41-27-35(7)20-36(8)28-41;1-2-4-5-3-1;/h10-28,37H,1-9H3;1-5H;/q2*-1;+2/t37-;;/m1../s1
• InChIKey: BOIJKQHZTBIFFX-CHKASDEDSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1R)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-{2-[bis(3,5-dimethylphenyl)phosphanyl]phenyl}cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1R)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-{2-[bis(3,5-dimethylphenyl)phosphanyl]phenyl}cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1R)-1-[(1S)-1-[双(3,5-二甲基苯基)膦基]乙基]-2-[2-[双(3,5-二甲苯基)膦基]苯基]二茂铁（符合 CAS 标准）; (S)-1-{(SP)-2-[2-[二(3,5-二甲苯基)膦基]苯基]二茂铁基}乙基二(3,5-二甲苯基)膦; Walphos SL-W009-2; (1R)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-[2-[bis(3,5-dimethylphenyl)phosphino]phenyl]ferrocene (acc to CAS); (S)-1-{(SP)-2-[2-[Di(3,5-xylyl)phosphino]phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine

登记号

• CAS号: 849925-24-2
• MDL号: MFCD04117713
• PubChem SID: 24884241; 162234996
• PubChem CID: 71310517

理论计算性质

• Acid pKa: 10.661606
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 13.407197
• LogD (pH = 7.4): 13.406962
• Log P: 14.4055
• 摩尔折射率: 207.5152 cm^3
• 极化性: 81.5613 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): C50H52FeP2

详细说明

Sigma Aldrich - 65684

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