λ2-iron(2+) ion 3-[(1S)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-[bis(furan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

• ChemBase编号: 139754
• 分子式: C36H36FeO2P2
• 平均质量: 618.462362
• 单一同位素质量: 618.15399115
• SMILES: Cc1cc(cc(c1)P(c1cc(cc(c1)C)C)[C@@H](C)C1=C[CH-]C=C1P(c1ccco1)c1ccco1)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=C1P(c1ccco1)c1ccco1)C)c1cc(C)cc(c1)C.[Fe+2]
• InChI: InChI=1S/C31H31O2P2.C5H5.Fe/c1-21-15-22(2)18-26(17-21)34(27-19-23(3)16-24(4)20-27)25(5)28-9-6-10-29(28)35(30-11-7-13-32-30)31-12-8-14-33-31;1-2-4-5-3-1;/h6-20,25H,1-5H3;1-5H;/q2*-1;+2/t25-;;/m0../s1
• InChIKey: NIRCQEMSYUNJNP-WLOLSGMKSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1S)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-[bis(furan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1S)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-[bis(furan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (2S)-1-[(1S)-1-[双(3,5-二甲基苯基)膦]乙基]-2-(二-2-呋喃基膦基)二茂铁（符合 CAS 标准）; (S)-1-{(RP)-2-[二(2-呋喃基)膦基]二茂铁基}乙基二(3,5-二甲苯基)膦; Josiphos SL-J015-2; (2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(di-2-furanylphosphino)ferrocene (acc to CAS); (S)-1-{(RP)-2-[Di(2-furyl)phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine

登记号

• CAS号: 649559-66-0
• MDL号: MFCD06658128
• PubChem SID: 24889128; 162234002
• PubChem CID: 71310316

理论计算性质

• Acid pKa: 13.180127
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.2648
• LogD (pH = 7.4): 7.264799
• Log P: 9.1061
• 摩尔折射率: 145.7476 cm^3
• 极化性: 57.00129 Å^3
• 极化表面积: 26.28 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): C36H36FeO2P2

详细说明

Sigma Aldrich - 88740

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