dicyclohexyl[2-(1,3-dioxolan-2-yl)phenyl]phosphane

• ChemBase编号: 142827
• 分子式: C21H31O2P
• 平均质量: 346.443401
• 单一同位素质量: 346.20616686
• SMILES: c1ccc(c(c1)C1OCCO1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(c1ccccc1C1OCCO1)C1CCCCC1
• InChI: InChI=1S/C21H31O2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)20-14-8-7-13-19(20)21-22-15-16-23-21/h7-8,13-14,17-18,21H,1-6,9-12,15-16H2
• InChIKey: DIFRDTMQEINUSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclohexyl[2-(1,3-dioxolan-2-yl)phenyl]phosphane
• IUPAC传统名: dicyclohexyl[2-(1,3-dioxolan-2-yl)phenyl]phosphane
• 别名: 二环己基(2-(1,3-二氧戊环-2-基)苯基)膦; 2-(2-二环己基膦苯基)-1,3-二氧戊环; Dicyclohexyl(2-(1,3-dioxolan-2-yl)phenyl)phosphine; 2-(2-Dicyclohexylphosphinophenyl)-1,3-dioxolane

登记号

• CAS号: 246158-59-8
• MDL号: MFCD07784367
• PubChem SID: 162237053; 24884101
• PubChem CID: 10665273

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.744664
• LogD (pH = 7.4): 4.8624134
• Log P: 4.8664
• 摩尔折射率: 99.3769 cm^3
• 极化性: 39.86567 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 82-85 °C(lit.)

安全信息

• 德国WGK号: 3
• GHS危险声明: H413
• 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%
• Empirical Formula (Hill Notation): C21H31O2P

详细说明

Sigma Aldrich - 655406

包装
1 g in glass bottle
Application

• Ligand for preparation of palladium P,O-ligand-catalyst for Suzuki cross-coupling reactions1
Protocols & Applications
Efficient Suzuki Coupling with Symphos Ligands