2-Chloro5-nitrocinnamyl chloride | 223577-09-1

• 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-Chloro5-nitrocinnamyl chloride
• 英文别名: 1-chloro-2-(3-chloroprop-1-enyl)-4-nitrobenzene
• CAS: 223577-09-1
• 化学式: C₉H₇Cl₂NO₂
• 分子量: 232.066
• InChiKey: RKIVPPWYAIDQDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-propionyl-3,8-diazabicyclo<3.2.1>octane 、 2-Chloro5-nitrocinnamyl chloride 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以56%的产率得到1-[8-[3-(2-chloro-5-nitrophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
  参考文献：
  名称：

  Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

  摘要：

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00065-2
• 作为产物：
  描述：

  3-(2-chloro-5-nitrophenyl)prop-2-en-1-ol 在 氯化亚砜 作用下， 反应 0.5h， 生成 2-Chloro5-nitrocinnamyl chloride
  参考文献：
  名称：

  Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

  摘要：

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00065-2

文献信息

• 5-(N-3,4,5,6-tetrahydrophthalimido)cinnamic acid derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US05009701A1

  公开（公告）日：1991-04-23

  5-(N-3,4,5,6-Tetrahydrophthalimido)-cinnamic acid derivatives of the formula Ib ##STR1## where the substituents have the following meanings: Y is chlorine, bromine or C.sub.1 -C.sub.4 -alkyl; R.sup.1 is hydrogen, C.sub.1 -C.sub.8 -alkyl, substituted or unsubstituted C.sub.2 -C.sub.4 alkyl, C.sub.3 -C.sub.6 -alkenyl, C.sub.3 -C.sub.6 -alkynyl, or substituted or unsubstituted phenyl or benzyl, R.sup.2 is C.sub.5 -C.sub.8 -alkyl, substituted or unsubstituted C.sub.2 -C.sub.4 -alkyl, C.sub.1 -C.sub.6 -alkoxy, C.sub.3 -C.sub.6 -alkenyl, C.sub.3 -C.sub.6 -alkenyloxy, C.sub.3 -C.sub.6 -alkynyl, C.sub.3 -C.sub.6 -alkynyloxy, or substituted or unsubstituted phenyl, phenoxy, benzyl or benzyloxy, R.sub.3 C.sub.1 -C.sub.6 -alkyl, or substituted or unsubstituted C.sub.2 -C.sub.6 -alkyl, methods of manufacturing these compounds, and their use as herbicides.

  Ib式的5-(N-3,4,5,6-四氢酞酰亚胺)-肉桂酸衍生物，其中取代基具有以下含义：Y是氯、溴或C.sub.1-C.sub.4烷基；R.sup.1是氢、C.sub.1-C.sub.8烷基、取代或未取代的C.sub.2-C.sub.4烷基、C.sub.3-C.sub.6烯基、C.sub.3-C.sub.6炔基或取代或未取代的苯基或苄基；R.sup.2是C.sub.5-C.sub.8烷基、取代或未取代的C.sub.2-C.sub.4烷基、C.sub.1-C.sub.6烷氧基、C.sub.3-C.sub.6烯基、C.sub.3-C.sub.6烯氧基、C.sub.3-C.sub.6炔基、C.sub.3-C.sub.6炔氧基、或取代或未取代的苯基、苯氧基、苄基或苄氧基；R.sub.3是C.sub.1-C.sub.6烷基，或取代或未取代的C.sub.2-C.sub.6烷基，制造这些化合物的方法，以及它们作为除草剂的用途。