2-(2-Chlorophenyl)-3-dimethylaminoprop-2-enal | 76053-33-3

• 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-(2-Chlorophenyl)-3-dimethylaminoprop-2-enal
• 英文别名: 2-(2-chlorophenyl)-3-(dimethylamino)prop-2-enal
• CAS: 76053-33-3
• 化学式: C₁₁H₁₂ClNO
• 分子量: 209.675
• InChiKey: PUVVVJDGUWJSMR-UHFFFAOYSA-N

物化性质

• 沸点：
  425.4±40.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-Chlorophenyl)-3-dimethylaminoprop-2-enal 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 生成 2-(2-chlorophenyl)-3-hydroxyprop-2-enal
  参考文献：
  名称：

  Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans

  摘要：

  Potential inhibitors of Leptosphaeria maculans mediated detoxification of the phytoalexin brassilexin were designed and synthesized based on the planar heteroaromatic structure of isothiazolo[5,4-b]indole. Screening of these compounds for inhibition of brassilexin detoxification in cultures of L. maculans indicated that 4-(2-chlorophenyl)isothiazole had the largest effect on the rate of brassilexin detoxification. However, the most antifungal compound among the potential inhibitors, isothiazolo[5,4-b]quinoline, did not appear to affect the metabolism of brassilexin noticeably, suggesting that growth inhibition is not sufficient to slow down the rate of brassilexin detoxification. Furthermore, it was determined that 4-arylisothiazoles as well as isothiazolo[5,4-b]thianaphthene displayed antifungal activity against L. maculans. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.053
• 作为产物：
  描述：

  邻氯苯乙酸 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 反应 2.0h， 生成 2-(2-Chlorophenyl)-3-dimethylaminoprop-2-enal
  参考文献：
  名称：

  Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans

  摘要：

  Potential inhibitors of Leptosphaeria maculans mediated detoxification of the phytoalexin brassilexin were designed and synthesized based on the planar heteroaromatic structure of isothiazolo[5,4-b]indole. Screening of these compounds for inhibition of brassilexin detoxification in cultures of L. maculans indicated that 4-(2-chlorophenyl)isothiazole had the largest effect on the rate of brassilexin detoxification. However, the most antifungal compound among the potential inhibitors, isothiazolo[5,4-b]quinoline, did not appear to affect the metabolism of brassilexin noticeably, suggesting that growth inhibition is not sufficient to slow down the rate of brassilexin detoxification. Furthermore, it was determined that 4-arylisothiazoles as well as isothiazolo[5,4-b]thianaphthene displayed antifungal activity against L. maculans. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.053

文献信息

• Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines
  申请人：American Cyanamid Company

  公开号：US04209626A1

  公开（公告）日：1980-06-24

  This disclosure describes novel 6-(substituted-phenyl)-1,2,4-triazolo[4,3-a]pyridines useful as hypotensive agents.

  本公开说明了一种新的6-(取代苯基)-1,2,4-三唑并[4,3-a]吡啶，可用作降压剂。
• Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines
  申请人：American Cyanamid Company

  公开号：US04242515A1

  公开（公告）日：1980-12-30

  This disclosure describes novel 3-alkyl-6-(substituted-phenyl)-1,2,4-triazolo[4,3-a]pyridines useful as anxiolytic agents.

  本公开说明了一种新型的3-烷基-6-(取代苯基)-1,2,4-三唑并[4,3-a]吡啶，可用作抗焦虑剂。
• Compounds with a nitrogen-containing heterocyclic nucleus, and drugs in
  申请人：Sanofi

  公开号：US04613603A1

  公开（公告）日：1986-09-23

  The invention relates to compounds with a nitrogen-containing heterocyclic nucleus, of the general formula: ##STR1## in which: Ar represents a group ##STR2## or a naphthyl group optionally substituted by a halogen, A represents a heterocyclic nucleus chosen from the group consisting of the pyridine, pyrimidine and triazine nuclei, and X and Y, taken separately, denote a hydrogen atom in one case and a group OR.sub.3 (hydroxyl, carbamate or ester) in the other. The invention also relates to a process for the preparation of these compounds and their application as drugs acting on the central nervous system.

  本发明涉及一种具有含氮杂环核的化合物，其一般式为：##STR1## 其中：Ar代表一个基团##STR2##或者一个萘基团，该萘基团可以选择性地被卤素取代，A代表从吡啶、嘧啶和三嗪核中选择的杂环核，X和Y分别表示一个氢原子和一个OR.sub.3（羟基、氨基甲酸酯或酯）基团。本发明还涉及制备这些化合物的方法以及它们作为中枢神经系统药物的应用。
• Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans
  作者：M. Soledade. C. Pedras、Mojmir Suchy

  DOI：10.1016/j.bmc.2005.08.053

  日期：2006.2

  Potential inhibitors of Leptosphaeria maculans mediated detoxification of the phytoalexin brassilexin were designed and synthesized based on the planar heteroaromatic structure of isothiazolo[5,4-b]indole. Screening of these compounds for inhibition of brassilexin detoxification in cultures of L. maculans indicated that 4-(2-chlorophenyl)isothiazole had the largest effect on the rate of brassilexin detoxification. However, the most antifungal compound among the potential inhibitors, isothiazolo[5,4-b]quinoline, did not appear to affect the metabolism of brassilexin noticeably, suggesting that growth inhibition is not sufficient to slow down the rate of brassilexin detoxification. Furthermore, it was determined that 4-arylisothiazoles as well as isothiazolo[5,4-b]thianaphthene displayed antifungal activity against L. maculans. (c) 2005 Elsevier Ltd. All rights reserved.