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

• ChemBase编号: 140809
• 分子式: C34H32FeO2P2
• 平均质量: 590.409202
• 单一同位素质量: 590.12269102
• SMILES: Cc1ccccc1P(c1ccccc1C)[C@H](C)C1=C[CH-]C=C1P(c1ccco1)c1ccco1.C1=CC[C-]=C1.[Fe+2]
• Canonical SMILES: C1=[C-]CC=C1.C[C@H](C1=C[CH-]C=C1P(c1ccco1)c1ccco1)P(c1ccccc1C)c1ccccc1C.[Fe+2]
• InChI: InChI=1S/C29H27O2P2.C5H5.Fe/c1-21-11-4-6-14-25(21)32(26-15-7-5-12-22(26)2)23(3)24-13-8-16-27(24)33(28-17-9-19-30-28)29-18-10-20-31-29;1-2-4-5-3-1;/h4-20,23H,1-3H3;1-3H,4H2;/q2*-1;+2/t23-;;/m1../s1
• InChIKey: JEFWCFMJSJCRRB-MQWQBNKOSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1R)-1-[bis(2-methylphenyl)phosphanyl]ethyl]-4-[bis(furan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide cyclopenta-1,3-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1R)-1-[bis(2-methylphenyl)phosphanyl]ethyl]-4-[bis(furan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide cyclopenta-1,3-dien-1-ide
• 别名: (2R)-1-[(1R)-1-[双(2-甲苯基)膦基]乙基]-2-(二-2-呋喃基膦基)二茂铁（符合 CAS 标准）; (R)-1-{(SP)-2-[二(2-呋喃基)膦基]二茂铁基}乙基双(2-甲苯基)膦; Josiphos SL-J452-1; (2R)-1-[(1R)-1-[Bis(2-methylphenyl)phosphino]ethyl]-2-(di-2-furanylphosphino)ferrocene (acc to CAS); (R)-1-{(SP)-2-[Di(2-furyl)phosphino]ferrocenyl}ethylbis(2-methylphenyl)phosphine

登记号

• CAS号: 849924-73-8
• MDL号: MFCD08561168
• PubChem SID: 162235049; 24889139
• PubChem CID: 71310527

理论计算性质

• Acid pKa: 13.180125
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.3304
• LogD (pH = 7.4): 6.3303995
• Log P: 8.1717
• 摩尔折射率: 135.6652 cm^3
• 极化性: 53.469543 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): C34H32FeO2P2

详细说明

Sigma Aldrich - 88751

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