N-(2-{[2,6-bis(propan-2-yl)phenyl]imino}ethylidene)-2,6-bis(propan-2-yl)aniline

• ChemBase编号: 140969
• 分子式: C26H36N2
• 平均质量: 376.57744
• 单一同位素质量: 376.28784916
• SMILES: CC(c1c(c(ccc1)C(C)C)/N=C/C=N/c1c(cccc1C(C)C)C(C)C)C
• Canonical SMILES: CC(c1cccc(c1/N=C/C=N/c1c(cccc1C(C)C)C(C)C)C(C)C)C
• InChI: InChI=1S/C26H36N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3
• InChIKey: JWVIIGXMTONOFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-{[2,6-bis(propan-2-yl)phenyl]imino}ethylidene)-2,6-bis(propan-2-yl)aniline
• IUPAC传统名: N-{2-[(2,6-diisopropylphenyl)imino]ethylidene}-2,6-diisopropylaniline
• 别名: N,N′-双(2,6-二异丙基苯基))-1,4-二氮杂丁二烯; N,N′-双(2,6-二异丙基苯基)乙二亚胺; 乙二醛双(2,6-二异丙基苯胺); (1E,2E)-1,2-双(2,6-二异丙苯基亚氨基)乙烷; N,N′-Bis(2,6-diisopropylphenyl)-1,4-diazabutadiene; N,N′-Bis(2,6-diisopropylphenyl)ethanediimine; Glyoxal bis(2,6-diisopropylanil); (1E,2E)-1,2-Bis(2,6-Diisopropylphenylimino)ethane

登记号

• CAS号: 74663-75-5
• MDL号: MFCD03838856
• PubChem SID: 162235206
• PubChem CID: 630473

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 9.299369
• LogD (pH = 7.4): 9.299948
• Log P: 9.299955
• 摩尔折射率: 126.8158 cm^3
• 极化性: 46.911 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 105-109 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 90%
• 线性分子式: (C3H7)2C6H3NCHCHNC6H3(C3H7)2

详细说明

Sigma Aldrich - 693979

包装
1, 5 g in glass bottle
Application

• Reactant in preparation of derived ruthenium olefin metathesis catalysts1
• N-cyclic carbene ligand2Catalyst in:
• Palladium-catalyzed aerobic alc. oxidn. supported by a-diimine ligands3
• Regioselective alkylation in presence of ruthenium-bisimine catalytic precursors4
• N-arylation of aromatic amines5
• Preparation of ruthenium nitrosyl alpha-diimine and iminoketone complexes as catalysts for transfer hydrogenation of ketones and atom transfer radical polymerization reactions6