1-N-(chloronickelio)-1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine

• ChemBase编号: 143491
• 分子式: C16H20ClN3Ni
• 平均质量: 348.4965
• 单一同位素质量: 347.06991824
• SMILES: CN(C)c1ccccc1N(c1ccccc1N(C)C)[Ni]Cl
• Canonical SMILES: Cl[Ni]N(c1ccccc1N(C)C)c1ccccc1N(C)C
• InChI: InChI=1S/C16H20N3.ClH.Ni/c1-18(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)19(3)4;;/h5-12H,1-4H3;1H;/q-1;;+2/p-1
• InChIKey: IRLHVNUEEKJBEL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-N-(chloronickelio)-1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine
• IUPAC传统名: 1-N-(chloronickelio)-1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine
• 别名: 氯[N2-[2-(二甲氨基-κN)苯基]-N1,N1-二甲基-1,2-苯二胺-κN1,κN2]-镍; 双[(2-二甲氨基)苯基]胺氯化镍(II); Nickamine; Chloro[N2-[2-(dimethylamino-κN)phenyl]-N1,N1-dimethyl-1,2-benzenediaminato-κN1,κN2]-nickel; Bis[(2-dimethylamino)phenyl]amine nickel(II) chloride

登记号

• CAS号: 1033772-47-2
• MDL号: MFCD17015253
• PubChem SID: 162237710
• PubChem CID: 71310963

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.616219
• LogD (pH = 7.4): 3.6176813
• Log P: 3.6177
• 摩尔折射率: 99.057 cm^3
• 极化性: 35.650185 Å^3
• 极化表面积: 9.72 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: ≥97% (AT)
• Empirical Formula (Hill Notation): C16H20ClN3Ni

详细说明

Sigma Aldrich - 728551

包装
100, 500 mg in glass bottle
Application
Catalyst for:
• Alkyl-alkyl Kumada coupling of secondary alkyl halides1
• Direct alkylation of heterocyclic C-H bonds2
• Sonogashira coupling of nonactivated alkyl halides3
• Kumada-Corriu-Tamao coupling of nonactivated alkyl halides with aryl and heteroaryl nucleophiles4Reactant of pincer NN2 ligand leading to selective carbon-carbon bond formation5