[3-(diphenylphosphanyl)propyl]diphenylphosphane; dichloronickel

• ChemBase编号: 148053
• 分子式: C27H26Cl2NiP2
• 平均质量: 542.042262
• 单一同位素质量: 540.02402235
• SMILES: c1ccc(cc1)P(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.Cl[Ni]Cl
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.Cl[Ni]Cl
• InChI: InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
• InChIKey: ZBQUMMFUJLOTQC-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: [3-(diphenylphosphanyl)propyl]diphenylphosphane; dichloronickel
• IUPAC传统名: [3-(diphenylphosphanyl)propyl]diphenylphosphane; nickel chloride
• 别名: 1,3-双(二苯基膦)丙烷氯化镍(II); [1,3-双(二苯基膦)丙烷]二氯化镍(II); (1,3-dppp)NiCl2; Ni(dppp)Cl2; 1,3-Bis(diphenylphosphino)propane nickel(II) chloride; [1,3-Bis(diphenylphosphino)propane]dichloronickel(II)

登记号

• CAS号: 15629-92-2
• MDL号: MFCD00015318
• PubChem SID: 162242232; 24860309
• PubChem CID: 2724937

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• 摩尔折射率: 126.3902 cm^3
• 极化性: 50.2117 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: 213 °C (dec.)(lit.)

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 3
• 危险公开号: 49-36/37/38-42/43
• 安全公开号: 53-26-36/37/39-45
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H315-H317-H319-H334-H335-H350
• GHS警示性声明: P201-P261-P280-P305 + P351 + P338-P308 + P313
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

产品相关信息

• 纯度: ≥97.0% (C)
• 级别: purum
• 线性分子式: [(C6H5)2P(CH2)3P(C6H5)2]NiCl2

详细说明

Sigma Aldrich - 335363

包装
5, 25 g in glass bottle
Application
Catalyst for:
• Synthesis of block-copolythiophenes1
• Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acids2
• Solid state metathesis polycondensation3
• Polymerization of poly(3-alkoxythiophene)s4
• Diastereoselective Nozaki-Hiyama-Kishi coupling reactions of C1-C19 fragment of macrolide antibiotic aplyronine A5
• Transfer condensation polymerization of conjugated polymers6

Sigma Aldrich - 14819

Other Notes
催化剂，用于格氏试剂与烯醇醚反应生成烯烃。双膦配体可尽可能地减少格氏试剂与不稳定 β-氢的还原反应7,8；用于格氏试剂与二硫缩醛和二乙烯硫反应生成烯烃的催化剂9,10
Application
Catalyst for:
• Synthesis of block-copolythiophenes1
• Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acids2
• Solid state metathesis polycondensation3
• Polymerization of poly(3-alkoxythiophene)s4
• Diastereoselective Nozaki-Hiyama-Kishi coupling reactions of C1-C19 fragment of macrolide antibiotic aplyronine A5
• Transfer condensation polymerization of conjugated polymers6