diethyl 2-(1-(4-bromophenyl)-2-nitroethyl)malonate | 52927-53-4

• 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: diethyl 2-(1-(4-bromophenyl)-2-nitroethyl)malonate
• 英文别名: 2-[1-(4-Bromo-phenyl)-2-nitro-ethyl]-malonic acid diethyl ester；Diethyl 2-[1-(4-bromophenyl)-2-nitroethyl]propanedioate
• CAS: 52927-53-4
• 化学式: C₁₅H₁₈BrNO₆
• 分子量: 388.215
• InChiKey: XNLWLQILZGXKQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-bromo-β-nitrostyrene 、 丙二酸二乙酯 在 三乙胺 、 calcium chloride 作用下， 反应 0.5h， 以88%的产率得到diethyl 2-(1-(4-bromophenyl)-2-nitroethyl)malonate
  参考文献：
  名称：

  Mechanosynthesis of γ-nitro dicarbonyl compounds via CaCl2-catalyzed Michael addition

  摘要：

  An efficient strategy for the mechanosynthesis of gamma-nitro dicarbonyl esters has been developed. A CaCl2-catalyzed Michael reaction, conducted at room temperature, afforded nitroalkenes from malonates in a short reaction time and in high yields. In most cases, polymerized side-reactions are eliminated or minimized. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.06.089

文献信息

• ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER
  申请人：Liang Chungen

  公开号：US20100216806A1

  公开（公告）日：2010-08-26

  Compounds of formula are HDAC inhibitors. These compounds are useful for the treatment of diseases such as cancer in humans or animals.

  这些化合物的化学式是HDAC抑制剂。这些化合物对于治疗人类或动物的癌症等疾病是有用的。
• Agarwal, Jyoti; Naganaboina, Ram Tilak; Peddinli, Rama Krishna, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 4, p. 511 - 518
  作者：Agarwal, Jyoti、Naganaboina, Ram Tilak、Peddinli, Rama Krishna

  DOI：——

  日期：——
• NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2398769A1

  公开（公告）日：2011-12-28
• US7977372B2
  申请人：——

  公开号：US7977372B2

  公开（公告）日：2011-07-12
• [EN] NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER<br/>[FR] NOUVEAUX ORTHO-AMINOAMIDES POUR LE TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010094678A1

  公开（公告）日：2010-08-26

  The present invention is directed to the compounds of formula (I) wherein R, R1 and R2 have the significances given herein, to processes for the manufacture of said compounds as well as medicaments containing said compounds. The compounds according to this invention show anti-proliferative and differentiation-inducing activity and are thus useful for the treatment of diseases such as cancer in humans or animals.