bis([2-(dimethylamino)ethyl]dimethylamine); bis(chlorocopperol)

• ChemBase编号: 139565
• 分子式: C12H34Cl2Cu2N4O2
• 平均质量: 464.42196
• 单一同位素质量: 462.06507671
• SMILES: CN(C)CCN(C)C.CN(C)CCN(C)C.O[Cu]Cl.O[Cu]Cl
• Canonical SMILES: CN(CCN(C)C)C.CN(CCN(C)C)C.O[Cu]Cl.O[Cu]Cl
• InChI: InChI=1S/2C6H16N2.2ClH.2Cu.2H2O/c2*1-7(2)5-6-8(3)4;;;;;;/h2*5-6H2,1-4H3;2*1H;;;2*1H2/q;;;;2*+2;;/p-4
• InChIKey: XSGFQMSXIWLPOB-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: bis([2-(dimethylamino)ethyl]dimethylamine); bis(chlorocopperol)
• IUPAC传统名: bis(chlorocopperol); bis(temed)
• 别名: Cu-TMEDA 催化剂; 氯化铜(II)氢氧化物 (N,N,N′,N′-四甲基亚乙基二胺)络合物二聚体; 氯羟基(N,N,N′,N′-四甲基亚乙基二胺)铜(II); 氯化二羟基-双四甲基亚乙基二胺铜; Cu-TMEDA 催化剂; Chlorohydroxo(N,N,N′,N′-tetrametylethylenediamine)copper(II); Copper(II) chloride hydroxide (N,N,N′,N′-tetrametylethylenediamine) Complex Dimer; Cu-TMEDA catalyst; Di-μ-hydroxo-bis(N,N,N′,N′-tetramethylethylenediamine)copper(II) chloride; Di-μ-hydroxo-bis[(N,N,N′.N′-tetramethylethylenediamine)copper(II)] chloride; Cu-TMEDA catalyst

登记号

• CAS号: 30698-64-7
• MDL号: MFCD01321163
• PubChem SID: 162233813; 24889684; 24881335
• PubChem CID: 11190467

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -3.377547
• LogD (pH = 7.4): -1.7988784
• Log P: 0.208814
• 摩尔折射率: 38.0072 cm^3
• 极化性: 14.858968 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 131-132 °C(lit.); 138-148 °C

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: ≥97.0% (RT)
• 级别: purum
• Empirical Formula (Hill Notation): C12H34Cl2Cu2N4O2

详细说明

Sigma Aldrich - 593192

包装
5, 25 g in glass bottle
Application
Catalyst for:
• Asymmetric conjugate addition reactions1
• 1,3-dipolar cycloaddition of pyrazolidinone-based dipoles to terminal alkynes (precatalyst)2
• Oxidative N-arylation of imidazoles3
• Oxidative coupling copolymerization4
• Tandem phosphorous-carbon bond formation-oxyfunctionalization reactions5
• Benzylation and allylation of amides6

Sigma Aldrich - 92677

Other Notes
用于有氧氧化偶联反应的高效催化剂1,2；用于与乙烯硼酸类化合物进行 C-N 和 C-O 键交叉偶联反应的催化剂3,4