Methylmalonsaeure-dianilid | 6833-01-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methylmalonsaeure-dianilid
• 英文别名: methyl-malonic acid dianilide；Isobernsteinsaeure-dianilid；2-Methyl-N,N'-diphenyl-malonamide；2-methyl-N,N'-diphenylpropanediamide
• CAS: 6833-01-8
• 化学式: C₁₆H₁₆N₂O₂
• 分子量: 268.315
• InChiKey: YFMSXISDQGLRJM-UHFFFAOYSA-N

物化性质

• 熔点：
  180-181 °C(Solv: ethanol (64-17-5))
• 沸点：
  552.5±33.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)
• 溶解度：
  21.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Methylmalonsaeure-dianilid 在 lithium aluminium tetrahydride 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 2-butyl-2-methyl-N¹,N³-diphenylpropane-1,3-diamine
  参考文献：
  名称：

  A Nanocrystal Catalyst Incorporating a Surface Bound Transition Metal to Induce Photocatalytic Sequential Electron Transfer Events

  摘要：

  DOI：

  10.1021/jacs.1c00503
• 作为产物：
  描述：

  3,6-Dihydro-5-methyl-6-oxo-1,3-diphenyl-1-pyrimidinium-4-olat 在 氰胺 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以89%的产率得到Methylmalonsaeure-dianilid
  参考文献：
  名称：

  Gotthardt, Hans; Blum, Joachim, Chemische Berichte, 1986, vol. 119, # 5, p. 1445 - 1454

  摘要：

  DOI：

文献信息

• The Chameleonic Nature of the Nitro Group Applied to a Base-Promoted Cascade Reaction To Afford Indane-Fused Dihydrofurans
  作者：Howard Díaz-Salazar、Juan Carlos Rodríguez-Colín、Josué Vazquez-Chavez、Marcos Hernández-Rodríguez

  DOI：10.1021/acs.joc.3c00132

  日期：2023.7.7

  Michael/Conia-ene/SN2 cascade reaction for the synthesis of Indane-fused dihydrofurans from 1,3-dicarbonyl compounds and 2-alkynylnitrostyrenes promoted by potassium carbonate in DMSO at room temperature. In this reaction, the nitro group has a chameleonic role, first as an electron-withdrawing group for the Michael addition, then the nitronate behaves as a nucleophile, and finally, the allylic nitro acts as a

  我们公开了在室温下在DMSO中碳酸钾促进下由1,3-二羰基化合物和2-炔基硝基苯乙烯合成茚满稠合二氢呋喃的Michael/Conia-ene/S N 2 级联反应。在该反应中，硝基具有变色作用，首先作为迈克尔加成的吸电子基团，然后硝基充当亲核试剂，最后，烯丙基硝基充当离去基团。该产品以单一非对映异构体形式获得，其中 1,3-酮酯含量高达 82%，1,3-二酮含量高达 58%。此外，反应机理的 DFT 计算解释了硝基化合物在烯醇化物上化学选择性加成到未活化的三键上，烯醇化物的加成是高度吸热的。
• Thermal interface material with ion scavenger
  申请人：Honeywell International Inc.

  公开号：US10428257B2

  公开（公告）日：2019-10-01

  A thermal interface material includes at least one polymer, at least one thermally conductive filler; and at least one ion scavenger. In some embodiments, the ion scavenger is a complexing agent selected from the group consisting of: nitrogen containing complexing agents, phosphorus containing complexing agents, and hydroxyl carboxylic acid based complexing agents.

  热界面材料包括至少一种聚合物、至少一种导热填料和至少一种离子清除剂。在某些实施方案中，离子清除剂是一种络合剂，选自以下组别：含氮络合剂、含磷络合剂和基于羟基羧酸的络合剂。
• Design of novel histone deacetylase inhibitors
  作者：Phieng Siliphaivanh、Paul Harrington、David J. Witter、Karin Otte、Paul Tempest、Sam Kattar、Astrid M. Kral、Judith C. Fleming、Sujal V. Deshmukh、Andreas Harsch、Paul J. Secrist、Thomas A. Miller

  DOI：10.1016/j.bmcl.2007.05.080

  日期：2007.8

  Histone deacetylase (HDAC) inhibitors that target Class I and Class 11 HDACs are of synthetic and therapeutic interest and ongoing clinical studies indicate that they show great promise for the treatment of cancer. Moreover, Zolinza(R) (vorinostat) was recently approved by the FDA for the treatment of the cutaneous manifestations of cutaneous T-cell lymphoma [Nat. Rev. Drug Disc. 2007, 6 21]. As part of a broader effort to more fully explore the structure-activity relationships (SAR) of HDAC inhibitors, we sought to identify novel HDAC inhibitor structures through iterative design by utilizing low affinity ligands as synthetic starting points for SAR development. Novel and potent HDAC inhibitors have been identified using this approach and herein we report the optimization of the recognition elements of a novel series of malonyl-derived HDAC inhibitors. (c) 2007 Elsevier Ltd. All rights reserved.
• Menglin, Ma; Qingrong, Sun; Weiqing, Yang, Indian Journal of Heterocyclic Chemistry, 2021, vol. 31, # 3, p. 435 - 441
  作者：Menglin, Ma、Qingrong, Sun、Weiqing, Yang、Xingyi, Wang、Yinan, Xu

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Se: MVol.B, 59, page 131 - 133
  作者：

  DOI：——

  日期：——