dicyclopentyl({3-[(dicyclopentylphosphanyl)methyl]phenyl}methyl)phosphane

• ChemBase编号: 141048
• 分子式: C28H44P2
• 平均质量: 442.596482
• 单一同位素质量: 442.29182467
• SMILES: c1cc(cc(c1)CP(C1CCCC1)C1CCCC1)CP(C1CCCC1)C1CCCC1
• Canonical SMILES: C1CCC(C1)P(C1CCCC1)Cc1cccc(c1)CP(C1CCCC1)C1CCCC1
• InChI: InChI=1S/C28H44P2/c1-2-13-25(12-1)29(26-14-3-4-15-26)21-23-10-9-11-24(20-23)22-30(27-16-5-6-17-27)28-18-7-8-19-28/h9-11,20,25-28H,1-8,12-19,21-22H2
• InChIKey: OKNPJNSTEUHTOU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclopentyl({3-[(dicyclopentylphosphanyl)methyl]phenyl}methyl)phosphane
• IUPAC传统名: dicyclopentyl({3-[(dicyclopentylphosphanyl)methyl]phenyl}methyl)phosphane
• 别名: 1,3-双(二环戊基膦甲基)苯; [1,3-亚苯基双(亚甲基)]双(二环戊基膦); 1,3-Bis(dicyclopentylphosphinomethyl)benzene; [1,3-Phenylenebis(methylene)]bis(dicyclopentylphosphine)

登记号

• CAS号: 255874-48-7
• MDL号: MFCD07781996
• PubChem SID: 162235284
• PubChem CID: 11767519

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.170526
• LogD (pH = 7.4): 6.202567
• Log P: 7.3064
• 摩尔折射率: 142.6268 cm^3
• 极化性: 53.416912 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

理化性质

• 熔点: 30-34 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C28H44P2

详细说明

Sigma Aldrich - 680451

Application
新型双齿膦2
Catalyst for intermediate of Heck reactions1
包装
100, 500 mg in glass bottle