3-Chlor-1-(3-nitro-phenyl)-prop-1-en | 2016-83-3

• 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: 3-Chlor-1-(3-nitro-phenyl)-prop-1-en
• 英文别名: m-Nitro-cinnamylchlorid；1-(3-Chloro-propenyl)-3-nitro-benzene；1-(3-chloroprop-1-enyl)-3-nitrobenzene
• CAS: 2016-83-3
• 化学式: C₉H₈ClNO₂
• 分子量: 197.621
• InChiKey: VYHWMGGPQOROGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 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-Chlor-1-(3-nitro-phenyl)-prop-1-en 、 3-propionyl-3,8-diazabicyclo<3.2.1>octane 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以38%的产率得到1-{8-[(E)-3-(3-Nitro-phenyl)-allyl]-3,8-diaza-bicyclo[3.2.1]oct-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-nitrocinnamaldehyde 在 盐酸 、 sodium tetrahydroborate 作用下， 生成 3-Chlor-1-(3-nitro-phenyl)-prop-1-en
  参考文献：
  名称：

  哌嗪的双循环同系物。七。3-芳烯基-8-丙炔基-3,8-二氮杂双（3.2.1）辛酸的合成及止痛活性。

  摘要：

  DOI：

  10.1021/jm00327a010

文献信息

• 4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and
  申请人：Karl Thomae GmbH

  公开号：US05068325A1

  公开（公告）日：1991-11-26

  The present invention relates to new 4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepines of general formula II ##STR1## wherein the substituents are defined herein below, which compounds have valuable pharmacological properties, namely selective effects on the dopaminergic system which are achieved by stimulating (predominantly D2) dopamine receptors.

  本发明涉及一种新的4,5,7,8-四氢-6H-噻唑并[5,4-d]氮杂环庚烷通式II ##STR1## 其中取代基在下文中定义，这些化合物具有有价值的药理作用，即通过刺激（主要是D2）多巴胺受体实现对多巴胺系统的选择性影响。
• Isoindoline derivatives and the acid addition salts thereof and process
  申请人：Kowa Company Ltd.

  公开号：US04115398A1

  公开（公告）日：1978-09-19

  Isoindoline derivatives of the formula ##STR1## and the pharmaceutically acceptable acid addition salts thereof, wherein R represents a moiety selected from the group consisting of hydrogen, halogen, lower alkyl, lower alkoxy, nitro, hydroxy and hydroxy lower alkyl, and n is a positive number from 1 to 3, which R's may be the same or different when n is 2 or 3, and when n is 2, the two R's may be joined to the carbon atom vicinal to the phenyl ring to which the two R's are joined and may taken together form lower alkylenedioxy and the group ##STR2## and R.sub.1 is a member of the group consisting of hydrogen and lower alkyl. The compounds of this invention can be readily prepared by reacting a compound of the formula ##STR3## wherein R represents, in addition to the above defined, alkoxycarbonyloxy; R.sub.1 and n are as defined above; and X is halogen or the groups --O--SO.sub.2 --Y where Y is either lower alkyl or aryl, with isoindoline of the formula ##STR4## or a minemal acid salt thereof. The compounds are useful in such fields as, for example cardiovascular drugs.

  该文描述了公式为##STR1##的异吲哚啉衍生物及其药学上可接受的酸盐。其中，R代表从氢、卤素、低烷基、低烷氧基、硝基、羟基和羟基低烷基等组中选择的基团，n为1到3的正整数，当n为2或3时，R可以相同或不同，当n为2时，两个R可以连接到邻位苯环上的碳原子，并可共同形成低烷基二氧基和##STR2##基团；R.sub.1为氢或低烷基。这种化合物可以通过将公式为##STR3##的化合物（其中，R除上述定义外，还可以是烷氧羰氧基；R.sub.1和n如上定义；X为卤素或--O--SO.sub.2 --Y，其中Y为低烷基或芳基）与公式为##STR4##或其极小酸盐反应而制备得到。这些化合物在心血管药物等领域中有用。