N,N'-二甲基丙烷二酰胺 | 2090-18-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: N,N'-二甲基丙烷二酰胺
• 英文名称: N,N'-dimethyl-malonamide
• 英文别名: N¹,N³-dimethylmalonamide；Malonsaeure-N,N'-dimethyldiamid；N,N'-Dimethylmalonamide；N,N'-dimethylpropanediamide
• CAS: 2090-18-8
• 化学式: C₅H₁₀N₂O₂
• mdl: MFCD00085929
• 分子量: 130.147
• InChiKey: ZWXJWAPTSTYSAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  N,N'-二甲基丙烷二酰胺 在 溴 作用下， 以 氯仿 为溶剂， 以28%的产率得到2-bromo-N¹,N³-dimethylmalonamide
  参考文献：
  名称：

  WO2021055849A5

  摘要：

  公开号：

  WO2021055849A5
• 作为产物：
  描述：

  1,6-Dihydro-4-hydroxy-1,1',3,3'-tetramethyl-5-<1',2',3',6'-tetrahydro-6'-oxo-pyrimidinyl-(2)>-6-oxo-3-pyrimidinium-4'-oxyd 在 氢氧化钾 作用下， 生成 N,N'-二甲基丙烷二酰胺
  参考文献：
  名称：

  Kheifets,G.M. et al., Journal of Organic Chemistry USSR (English Translation), 1966, vol. 2, # 8, p. 1497 - 1502

  摘要：

  DOI：

文献信息

• The Rearrangement of<i>ortho</i>-Nitrobenzylidenemalonate Derivatives in Reactions with Amines. Applications to Organic Synthesis
  作者：Stefan Kinastowski、Stanisław Wnuk、Elżbieta Kaczmarek

  DOI：10.1055/s-1988-27483

  日期：——

  Rearrangement of 2,4-dinitro-, and 2, 4, 6-trinitrobenzylidenemalonates in reactions with primary, secondary and tertiary amines, both in the presence and in the absence of alcohols to give 2-amino-4-nitro-, and 2-amino-4,6-dinitrobenzoic acid derivatives is described. Depending on the reaction conditions, various rearrangement products, e.g. ester, ether, amide, are obtained selectively.

  在有或无醇的存在下，二硝基和三硝基苯亚甲基丙二酸酯与一级、二级和三级胺反应，生成2-氨基-4-硝基和2-氨基-4,6-二硝基苯甲酸衍生物的重排反应。根据反应条件，可以选择性地得到各种重排产物，例如酯、醚、酰胺等。
• Coordination studies of the ligand series RNH·CØ·(CH2)n·CØ·NHR where R=alkyl, aryl; Ø=O, S and n=0,1,2. Part 6. Crystal structures and bonding considerations of the ligands MeNH·CO·CH2·CO·NHMe (L1), MeNH·CO·CH2·CH2·CO·NHMe (L4), MeNH·CS·CH2·CS·NHMe(L5) and the SnIV complexes SnBr4L1·L1, SnBr4L2·2THF and SnBr4L3·MeCN where L2=iC3H7NH·CO·CH2·CO·NHiC3H7 and L3=iC3H7NH·CS·CH2·CS·NHiC3H7
  作者：Gerald R. Willey、Robert J. Baker、John V. Haslop、Marcus P. Spry、Michael G.B. Drew

  DOI：10.1016/s0277-5387(98)00108-9

  日期：1998.9

  attachment for these six coordinate mononuclear cis-octahedral Sn(IV) complexes. In all three structures, the NH groups are involved in intermolecular hydrogen bonding being linked either to C=O\C=S groups of adjacent molecules, or solvent molecule(s) entrapped in the lattice and\or halogen atom(s) of a neighbouring SnBr4 moiety. The general range of Sn-Br distances is 2.504(3)-2.565(12)Å excluding those halogen

  通过X射线衍射研究确定了配体MeNH·CO·CH 2 ·CO·NHMe，MeNH·CO·CH 2 ·CH 2 ·CO·NHMe和MeNH·CS·CH 2 CHS·CS·NHMe的晶体结构。骨架C–C，C–N和C = O \ C = S的键距和相关的键间角都非常相似，并且这些分子的堆积主要由N–H···型的分子间氢键决定。 O = C，在较小程度上为N–H··S = C。为了比较的装置的所有的键参数结构表征属于N，N'-二取代的一系列相关的配体RNH·CO·（CH 2）ñ ·CO·NHR，其中[R =烷基; Ø= O，S和n列出＝ O，1、2，并且提供了包括构象变化在内的此类配体的特征的一般概述。SnBr 4（MeNH·CO·CH 2 ·CO·NHMe）·MeNH·CO·CH 2 ·CO·NHMe，SnBr 4（i PrNH·CO·CH 2 ·CO·NH i Pr）·2THF和SnBr 4（i
• Manganese(III)-Mediated Oxidative Radical Cyclization 3. Synthesis of 3-Azabicyclo[3.3.0]-octan-2-ones and Related Compounds in the Reaction of 1,1,6,6-Tetraarylhexa-1,5-dienes with N,N’-Disubstituted Malonamides
  作者：Hiroshi Nishino、Kiyotaka Ishida、Hideaki Hashimoto、Kazu Kurosawa

  DOI：10.1055/s-1996-4310

  日期：1996.7

  The oxidation of 1,1,6,6-tetraarylhexa-1,5-dienes with manganese(III) acetate in the presence of N,N’-diarylmalonamides gave 1-(arylcarbamoyl)-8-(diarylmethylene)-3,4,4-triaryl-3-azabicyclo[3.3.0]octan-2-ones and 4,4,9,9-tetraaryl-2,11-bis(arlyimino)-3,10-dioxatricyclo[6.3.0.01,5]undecanes in good to moderate yields together with 11-(arylimino)-3,4,4,9,9-pentaaryl-10-oxa-3-azatricyclo[6.3.0.01,5]undecan-2-ones. A similar reaction in the presence of N,N’-dimethylmalonamide also yielded 3-azabicyclo[3.3.0]octan-2-one derivatives. An acid-catalyzed decomposition of the tricyclic diimines in acetic acid caused ring opening, while a similar decomposition in anhydrous THF resulted in recyclization at the nitrogen atom and/or hydrolysis of one of the imine bonds. A modification for the synthesis of 3-azabicyclo[3.3.0]octan-2-ones is discussed according to the results of the acid-catalyzed decomposition of the tricyclic imines.

  在 N,N'-二芳基丙二酰胺存在下，用乙酸锰 (III) 氧化 1,1,6,6-四芳基六-1,5-二烯，得到 1-(芳基氨基甲酰基)-8-(二芳基亚甲基)-3,4 ,4-三芳基-3-氮杂双环[3.3.0]辛烷-2-酮和4,4,9,9-四芳基-2,11-双(芳基亚氨基)-3,10-二氧三环[6.3.0.01,5]十一烷与 11-(芳基亚氨基)-3,4,4,9,9-五芳基-10-氧杂-3-氮杂三环[6.3.0.01,5]十一烷-2-酮一起产率良好至中等。在 N,N'-二甲基丙二酰胺存在下的类似反应也产生了 3-氮杂双环[3.3.0]辛烷-2-酮衍生物。三环二亚胺在乙酸中的酸催化分解导致开环，而无水THF中的类似分解导致氮原子再环化和/或亚胺键之一水解。根据三环亚胺的酸催化分解结果，讨论了3-氮杂双环[3.3.0]辛烷-2-酮合成的改进。
• Diaryl- and triaryl-pyrrole derivatives: inhibitors of the MDM2–p53 and MDMX–p53 protein–protein interactions
  作者：Tim J. Blackburn、Shafiq Ahmed、Christopher R. Coxon、Junfeng Liu、Xiaohong Lu、Bernard T. Golding、Roger J. Griffin、Claire Hutton、David R. Newell、Stephen Ojo、Anna F. Watson、Andrey Zaytzev、Yan Zhao、John Lunec、Ian R. Hardcastle

  DOI：10.1039/c3md00161j

  日期：——

  Screening identified 2-(3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile as an MDM2–p53 inhibitor (IC50 = 12.3 μM). MDM2–p53 and MDMX–p53 activity was seen for 5-((1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (MDM2 IC50 = 0.11 μM; MDMX IC50 = 4.2 μM)

  筛选鉴定出 2-(3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5( 2H )-ylidene)methyl)-2,5-dimethyl- 1H -pyrrol-1-yl)-4,5, 6,7-四氢苯并[ b ] 噻吩-3-甲腈作为 MDM2-p53 抑制剂 (IC 50 = 12.3 μM)。MDM2-p53 和 MDMX-p53 活性观察到 5-((1-(4-chlorophenyl)-2,5-diphenyl-1 H -pyrrol-3-yl)methylene)-2-thioxdihydropyrimidine-4,6(1 H ,5 H )-二酮 (MDM2 IC 50 = 0.11 μM；MDMX IC 50 = 4.2 μM) 和 5-((1-(4-nitrophenyl)-2,5-diphenyl-1 H -pyrrol-3-yl)亚甲基)嘧啶-2
• PYRIDONE DERIVATIVE AND HERBICIDE
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1982978B1

  公开（公告）日：2014-08-27