957476-07-2 ((N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide)

CAS号:
957476-07-2
英文名称:
N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide
分子式:
C20H24N2O8
分子量:
420.413166046143

N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide(957476-07-2)名称与标识符

名称

英文别名:
N1,N2-bis(2,4,6-trimethoxyphenyl)oxalamide;N,N'-Bis(2,4,6-trimethoxyphenyl)oxalamide;BTMPO;N,N'-bis(2,4,6-trimethoxyphenyl)oxamide;N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide;N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide (ACI);N,N′-Bis(2,4,6-trimethoxyphenyl)oxalamide;957476-07-2;N,N'-bis(2,4,6-trimethoxyphenyl)ethanediamide;SY078567;AT10822;CS-0128765;N,N'-Bis(2,4,6-trimethoxyphenyl)oxalamide (BTMPO);SCHEMBL18415560;AKOS037652138;MFCD30491289;EN300-22125240;

标识符

MDL:
MFCD30491289
InChIKey:
NGVJMONAWAGMOA-UHFFFAOYSA-N
Inchi:
1S/C20H24N2O8/c1-25-11-7-13(27-3)17(14(8-11)28-4)21-19(23)20(24)22-18-15(29-5)9-12(26-2)10-16(18)30-6/h7-10H,1-6H3,(H,21,23)(H,22,24)
SMILES:
O(C)C1C=C(C=C(C=1NC(C(NC1C(=CC(=CC=1OC)OC)OC)=O)=O)OC)OC

N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide(957476-07-2)物化性质

计算特性

  • 精确分子量 : 420.15326573 g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 8
  • 同位素质量 : 420.15326573 g/mol
  • 重原子数量 : 30
  • 复杂度 : 487
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.2
  • 拓扑分子极性表面积 : 114
  • 分子量 : 420.4

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N1,N2-Bis(2,4,6-trimethoxyphenyl)ethanediamide(957476-07-2)合成路线

合成路线:1 步
反应条件:
参考文献:
Preparation of oxalic acid monoamide ligand compounds for catalysis of coupling reactions
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
CuI/Oxalamide Catalyzed Couplings of (Hetero)aryl Chlorides and Phenols for Diaryl Ether Formation
Fan, Mengyang; Zhou, Wei; Jiang, Yongwen; Ma, Dawei, Angewandte Chemie, 2016, 55(21), 6211-6215
合成路线:1 步
反应条件:
参考文献:
Assembly of Primary (Hetero)Arylamines via CuI/Oxalic Diamide-Catalyzed Coupling of Aryl Chlorides and Ammonia
Fan, Mengyang; Zhou, Wei; Jiang, Yongwen; Ma, Dawei, Organic Letters, 2015, 17(23), 5934-5937
合成路线:1 步
反应条件:
参考文献:
CuI/Oxalic Diamide Catalyzed Coupling Reaction of (Hetero)Aryl Chlorides and Amines
Zhou, Wei; Fan, Mengyang; Yin, Junli; Jiang, Yongwen; Ma, Dawei, Journal of the American Chemical Society, 2015, 137(37), 11942-11945
合成路线:1 步
反应条件:
参考文献:
Co-catalytic borinate enables air-tolerant copper/oxalamide catalysis for cost-effective hydroxylation of aryl bromides
Tao, Shujing; Xu, Minling; Zou, Gang, Tetrahedron Letters, 2023, 123,
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed Coupling Reaction of (Hetero)Aryl Chlorides and Amides
De, Subhadip; Yin, Junli; Ma, Dawei, Organic Letters, 2017, 19(18), 4864-4867
合成路线:1 步
反应条件:
参考文献:
Discovery of N-(Naphthalen-1-yl)-N'-alkyl Oxalamide Ligands Enables Cu-Catalyzed Aryl Amination with High Turnovers
Gao, Jie; Bhunia, Subhajit; Wang, Kailiang; Gan, Lu; Xia, Shanghua; et al, Organic Letters, 2017, 19(11), 2809-2812
合成路线:1 步
反应条件:
参考文献:
Cyclometalated and Alkoxyphenyl-Substituted Palladium Imidazolin-2-ylidene Complexes. Synthetic, Structural, and Catalytic Studies
Stylianides, Neoklis; Danopoulos, Andreas A.; Pugh, David; Hancock, Fred; Zanotti-Gerosa, Antonio, Organometallics, 2007, 26(23), 5627-5635
合成路线:1 步
反应条件:
参考文献:
Preparation method of benzimidazole compound in disinfectant and pesticide
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Decarboxylative C(sp3)-N cross-coupling via synergetic photoredox and copper catalysis
Mao, Runze ; Frey, Adrian; Balon, Jonathan; Hu, Xile, Nature Catalysis, 2018, 1(2), 120-126
合成路线:1 步
反应条件:
参考文献:
Reagent Design and Ligand Evolution for the Development of a Mild Copper-Catalyzed Hydroxylation Reaction
Fier, Patrick S. ; Maloney, Kevin M., Organic Letters, 2017, 19(11), 3033-3036