2-benzamido-3-(p-chlorophenyl)propenoic acid | 40942-31-2

• 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: 2-benzamido-3-(p-chlorophenyl)propenoic acid
• 英文别名: 2-benzoylamino-3-p-chlorophenylacrylic acid；α-benzoylamino-4-chloro-cinnamic acid；α-Benzimino-β-(4-chlor-phenyl)-propionsaeure；α-Benzamino-β-(4-chlor-phenyl)-acrylsaeure；α-Benzoylamino-4-chlor-zimtsaeure；p-Chlorobenzoylaminocinnamic acid；2-benzamido-3-(4-chlorophenyl)prop-2-enoic acid
• CAS: 40942-31-2
• 化学式: C₁₆H₁₂ClNO₃
• 分子量: 301.729
• InChiKey: XGXSCWIUBHXDMH-UHFFFAOYSA-N

物化性质

• 沸点：
  551.4±50.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  2-benzamido-3-(p-chlorophenyl)propenoic acid 在 sodium hydroxide 作用下， 生成 3-(4-氯苯基)-2-羟基-丙烯酸
  参考文献：
  名称：

  Occupational and nonoccupational risk indicators for incident and chronic low back pain in a sample of the swedish general population during a 4-year period: An influence of depression?

  摘要：

  The objectives of this study were to examine the relation between occupational and nonoccupational conditions and both incident (IBLP) and chronic low back pain (CLBP), as well as depression, among women and men. I)ata from a 4-year follow-up of a study group consisting of 420 participants of both genders from the general Swedish population were analysed. Occupational risk indicators were predictors for both ILBP and CLBP. Depression was not found to be a predictor for either IBLP or CLBP among women, but was a predictor for CLBP among men. Among women, depression had some risk indicators in common with ILBP and appeared to be a concurrent outcome rather than a risk indicator. Low back pain in 1993 was not a predictor for depression in 1997 in either women or men. Occupational conditions are of relevance in relation to both incident and CLBP. Nonoccupational conditions were stronger predictors for CLBP than for ILBP but had some predictive value also for ILBP.

  DOI：

  10.1207/s15327558ijbm0704_07
• 作为产物：
  描述：

  (Z/E)-4-(4-chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以88%的产率得到2-benzamido-3-(p-chlorophenyl)propenoic acid
  参考文献：
  名称：

  碳酸铯介导的4-芳基亚苄基-2-苯基恶唑-5（4 H）-取代的2-芳基-3-硝基-2 H-色烯的苯甲酸酯化

  摘要：

  CS 2 CO 3与各种介导的多米诺benzalation反应的2-芳基-3-硝基-2- ħ -chromenes和4-苯亚甲基-2-苯基恶唑-5-（4 ħ） -酮已被实现。反应在宽范围的底物范围内平稳进行，从而以中等至高收率提供了多种取代的（Z）-4-（（Z）-亚苄基）苯并三氢吡喃-3-酮肟，它们很容易转化为生物学上重要的4 H -chromeno [3,4- c ]异恶唑。

  DOI：

  10.1021/acs.orglett.9b00776

文献信息

• Brovarets, V. S.; Kurg, V. V.; Vinogradova, T. K., Journal of general chemistry of the USSR, 1992, vol. 62, # 5.2, p. 886 - 889
  作者：Brovarets, V. S.、Kurg, V. V.、Vinogradova, T. K.、Smolii, O. B.、Drach, B. S.

  DOI：——

  日期：——
• Brovarets, V. S.; Zyuz, K. V.; Budnik, L. V., Russian Journal of General Chemistry, 1993, vol. 63, # 6, p. 879 - 883
  作者：Brovarets, V. S.、Zyuz, K. V.、Budnik, L. V.、Solodenko, V. A.、Drach, B. S.

  DOI：——

  日期：——