3-(4-甲基苄基氨基甲酰基)丙酸 | 118290-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-甲基苄基氨基甲酰基)丙酸
• 英文名称: 3-(4-methylbenzylcarbamoyl)propanoic acid
• 英文别名: N-(p-methylbenzyl)succinamic acid；3-(4-methylbenzylcarbamoyl)-propanoic acid；4-[(4-methylphenyl)methylamino]-4-oxobutanoic acid
• CAS: 118290-70-3
• 化学式: C₁₂H₁₅NO₃
• mdl: MFCD02053727
• 分子量: 221.256
• InChiKey: ZOFINSCQWDRGSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  147-149 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1))
• 沸点：
  489.3±38.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-氯二苯甲基)哌嗪 、 3-(4-甲基苄基氨基甲酰基)丙酸 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以60%的产率得到4-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-N-(4-methylbenzyl)-4-oxobutanamide
  参考文献：
  名称：

  Synthesis and bradykinin inhibitory activity of novel non-peptide compounds, and evaluation of in vivo analgesic activity

  摘要：

  A series of novel non-peptide diamide compounds was synthesized and evaluated as antibradykinin agents by utilizing guinea-pig ileum smooth muscle. Among the final compounds, (Z)-4-(4-(bis(4-fluorophenyl) methyl)piperazin-1-yl)-4-oxo-N-(4-phenylbutan-2-yl)but-2-enamide showed most favorable bradykinin inhibitory activity and demonstrated analgesic efficacies in the rat models of inflammatory and neuropathic pain. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.01.050
• 作为产物：
  描述：

  丁二酸酐 、 4-甲基苄胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以77%的产率得到3-(4-甲基苄基氨基甲酰基)丙酸
  参考文献：
  名称：

  Synthesis and bradykinin inhibitory activity of novel non-peptide compounds, and evaluation of in vivo analgesic activity

  摘要：

  A series of novel non-peptide diamide compounds was synthesized and evaluated as antibradykinin agents by utilizing guinea-pig ileum smooth muscle. Among the final compounds, (Z)-4-(4-(bis(4-fluorophenyl) methyl)piperazin-1-yl)-4-oxo-N-(4-phenylbutan-2-yl)but-2-enamide showed most favorable bradykinin inhibitory activity and demonstrated analgesic efficacies in the rat models of inflammatory and neuropathic pain. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.01.050

文献信息

• BORAZINE-BASED RESIN, PROCESS FOR ITS PRODUCTION, BORAZINE-BASED RESIN COMPOSITION, INSULATING FILM AND METHOD FOR ITS FORMATION
  申请人：MATSUTANI Hiroshi

  公开号：US20110313122A1

  公开（公告）日：2011-12-22

  Interlayer insulating films 5,7 (insulating films) provided in a memory capacitor cell 8 are formed between a gate electrode 3 and a counter electrode 8 C formed on a silicon wafer 1. The interlayer insulating films 5,7 comprise a borazine-based resin, having a specific dielectric constant of no greater than 2.6, a Young's modulus of 5 GPa or greater and a leak current of no greater than 1×10 −8 A/cm 2 .

  存储器电容单元中提供的绝缘膜（绝缘膜）是在硅片1上形成的栅极3和对电极8C之间形成的。绝缘膜5,7包括一种基于硼氮烷的树脂，其介电常数不大于2.6，杨氏模量为5 GPa或更大，泄漏电流不大于1×10^-8A/cm2。
• Novel thiazolidine derivatives
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0461677A1

  公开（公告）日：1991-12-18

  A novel thiazolidine derivative of general formula: wherein R represents a group of general formula:         G-E-D-B-A- wherein A represents single bond, alkylene group of from 1 to 6 carbon atom(s), alkenylene group of from 2 to 6 carbon atoms, a group of general formula: or saturated hydrocarbon ring of from 4 to 7 carbon atoms or a mono aromatic heterocyclic ring containing 4 to 7 ring members including one nitrogen atom and/or one sulphur atom which may be partially or fully saturated, Y represents alkylene group of from 1 to 4 carbon atom(s) or alkenylene group of from 2 to 4 carbon atoms, B represents single bond or alkylene group of from 1 to 6 carbon atom(s), D represents single bond, oxygen atom, carbonyl group or a group of general formula: R¹ represents hydrogen atom, alkyl group of from 1 to 4 carbon atom(s), phenyl group or benzyl group, E represents single bond, alkylene group of from 1 to 8 carbon atom(s) or alkylene group of from 1 to 8 carbon atom(s) substituted by phenyl group or benzyl group, G represents mono-, bi- or tri-aromatic carbocyclic ring(s) containing not more than 15 carbon atoms which may be partially or fully saturated or G represents mono-, bi-or tri-aromatic heterocyclic ring(s) containing not more than 15 ring members including one nitrogen atom which may be partially or fully saturated wherein the said carbocyclic ring or heterocyclic ring represented by G is unsubstituted or substituted by from one to three of alkyl group of from 1 to 6 carbon atom(s), alkoxy group of from 1 to 6 carbon atom(s), halogen atom, trifluormethyl group or nitro group, with the proviso that, A and B do not represent single bonds at the same time, possess inhibitory activity on prolyl endopeptidase, and therefore be useful for treating and/or preventing agent for amnesia.

  一种通式新颖的噻唑烷衍生物： 其中 R 代表通式中的一个基团： G-E-D-B-A- 其中 A 代表单键、1 至 6 个碳原子的亚烷基、2 至 6 个碳原子的烯基、通式为 G-E-D-B-A- 的基团： 或 4 至 7 个碳原子的饱和烃环，或含有 4 至 7 个环成员（包括一个氮原子和/或一个硫原子）的单芳杂环，可部分或完全饱和、 Y 代表 1 至 4 个碳原子的亚烷基或 2 至 4 个碳原子的烯基、 B 代表单键或 1 至 6 个碳原子的亚烷基、 D 代表单键、氧原子、羰基或通式中的一个基团： R¹ 代表氢原子、1 至 4 个碳原子的烷基、苯基或苄基、 E 代表单键、1 至 8 个碳原子的亚烷基或被苯基或苄基取代的 1 至 8 个碳原子的亚烷基、 G 代表含有不超过 15 个碳原子的单芳香族、双芳香族或三芳香族碳环，这些碳环可以是部分饱和或完全饱和的，或者 G 代表单芳香族、双芳香族或三芳香族碳环、含有不超过 15 个环状构件（包括一个氮原子）的单芳香族、双芳香族或三芳 香族杂环，可部分或完全饱和，其中 G 所代表的上述碳环或杂环未被取代或被 1 至 6 个碳原子的烷基、1 至 6 个碳原子的烷氧基、卤素原子、三氟甲基或硝基中的 1 至 3 个取代、 但 A 和 B 不能同时代表单键、 对脯氨酰内肽酶具有抑制活性，因此可用于治疗和/或预防健忘症。
• WO2007/142431
  申请人：——

  公开号：——

  公开（公告）日：——
• TODA, MASAAKI;OUTIDA, SYUITI;ONO, XIROYUKI
  作者：TODA, MASAAKI、OUTIDA, SYUITI、ONO, XIROYUKI

  DOI：——

  日期：——
• TODA, MASAAKI;OHUCHIDA, SHUICHI;OHNO, HIROYUKI
  作者：TODA, MASAAKI、OHUCHIDA, SHUICHI、OHNO, HIROYUKI

  DOI：——

  日期：——