3-(2,6-dichlorophenyl)propanenitrile | 61698-06-4

• 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-(2,6-dichlorophenyl)propanenitrile
• 英文别名: 3-(2,6-dichlorophenyl)propionitrile；α-(2,6-Dichlorphenyl)aethylcyanid
• CAS: 61698-06-4
• 化学式: C₉H₇Cl₂N
• mdl: MFCD09744610
• 分子量: 200.067
• InChiKey: OKJBFZSVXLUOBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(2,6-dichlorophenyl)propanenitrile 在 氨 、 水 、 sodium amide 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 5.5h， 生成 2-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
  参考文献：
  名称：

  Synthesis of hexahydro[2]benzopyrano[3,4-c]pyrroles as serotonin 5-HT2C receptor agonists via intramolecular hetero Diels–Alder reactions

  摘要：

  [2]Benzopyrano[3,4-c]pyrroles were synthesized via an intramolecular hetero Diels-Alder reaction. The reaction was applicable to a wide range of substrates and the products could be easily converted into serotonin 5-HT2c receptor agonists. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.055
• 作为产物：
  描述：

  2,6-二氯苯乙醇 在 咪唑 、 碘 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 生成 3-(2,6-dichlorophenyl)propanenitrile
  参考文献：
  名称：

  Synthesis and evaluation of thiazole carboxamides as vanilloid receptor 1 (TRPV1) antagonists

  摘要：

  A thiazole derivative, 2-(2,6-dichlorobenzyl)-N-(4-isopropylphenyl) thiazole-4-carboxamide (1), was identified as a TRPV1 antagonist. We synthesized various thiazole analogs and evaluated them for their ability to block capsaicin- or acid-induced calcium influx in TRPV1-expressing CHO cells. The IC50 values of the most potent antagonists were ca. 0.050 mu M in these assays. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.100

文献信息

• [EN] 6-PHENYLPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AS ANTIBACTERIAL AGENTS<br/>[FR] COMPOSÉS DE 6-PHÉNYLPYRIDO [2,3-D] PYRIMIDINE EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：ACHAOGEN INC

  公开号：WO2018023081A1

  公开（公告）日：2018-02-01

  The disclosure relates to antibacterial compounds having the Formula (I), where R1, R2, R3, R4, R8, n, and p are described herein, as well as stereoisomers, pharmaceutically acceptable salts, esters, and prodrugs thereof, pharmaceutical compositions comprising such compounds, methods of treating bacterial infections by the administration of such compounds, and processes for the preparation of the compounds.

  本公开涉及具有公式(I)的抗菌化合物，其中R1、R2、R3、R4、R8、n和p如本文所述，以及所述化合物的立体异构体、药物可接受的盐、酯和前药，包含此类化合物的药物组合物，通过给予此类化合物来治疗细菌感染的方法，以及制备这些化合物的方法。
• [EN] BENZIMIDAZOLE OR INDOLE AMIDES AS INHIBITORS OF PIN1<br/>[FR] AMIDES DE BENZIMIDAZOLE OU D'INDOLE EN TANT QU'INHIBITEURS DE PIN1
  申请人：PFIZER

  公开号：WO2006040646A1

  公开（公告）日：2006-04-20

  The invention relates to compounds of the formula (1) and to pharmaceutically acceptable salts and solvates thereof, wherein the variables are defined herein. The invention also relates to methods of treating abnormal cell growth in mammals by administering the compounds of formula (1) and to pharmaceutical compositions for treating such disorders that contain the compounds of formula (1). The invention also relates to methods of preparing the compounds of formula (1).

  这项发明涉及公式（1）的化合物，以及其药学上可接受的盐和溶剂化合物，其中变量在此处定义。该发明还涉及通过给予公式（1）的化合物来治疗哺乳动物中的异常细胞生长的方法，以及用于治疗包含公式（1）化合物的这类疾病的药物组合物。该发明还涉及制备公式（1）化合物的方法。
• Tris(trimethylsilyl)silane-mediated Reductive Decyanation and Cyano Transfer Reactions of Malononitriles
  作者：Takuji Kawamoto、Yudai Shimaya、Dennis P. Curran、Akio Kamimura

  DOI：10.1246/cl.171231

  日期：2018.4.5

  Reductive decyanation reactions of malononitriles were achieved with tris(trimethylsilyl)silane as a radical mediator. The reaction proceeds via a radical chain mechanism involving a silyl radical addition to the malononitrile to form an imidoyl radical followed by α-cleavage to give a silyl isocyanide and an α-cyano radical. The reaction of a 3-butenyl-substituted malononitrile afforded a decyano/cyanosilylation

  丙二腈的还原脱氰反应是用三（三甲基甲硅烷基）硅烷作为自由基介体实现的。该反应通过自由基链机制进行，包括甲硅烷基自由基加成到丙二腈以形成亚胺酰基自由基，然后α-裂解得到甲硅烷基异氰化物和α-氰基自由基。3-丁烯基取代的丙二腈的反应通过1,4-氰基转移以良好的产率提供了脱氰基/氰基硅烷化产物。
• Bicyclo (4.2.0) 1,3,5-octatriene compounds and use as .alpha.-adrenergics
  申请人：ADIR, s.a.r.l.

  公开号：US04567181A1

  公开（公告）日：1986-01-28

  Compounds of the formula: ##STR1## in which: R.sub.1 and R.sub.2 each represent, independently of one another, hydrogen, halogen, alkyl or alkoxy having from 1 to 4 carbon atoms, sulphonamide possibly substituted by an alkyl radical having from 1 to 4 carbon atoms; or together methylenedioxy, n is 0 or 1, in racemic form or in the form of optical isomers, and also their salts of addition with pharmaceutically acceptable acids. Useful in the treatment of ailments and/or conditions which are adrenoreceptor-related, such relationship being well known in the art.

  公式为：##STR1## 其中：R.sub.1和R.sub.2各自独立地代表氢、卤素、烷基或具有1至4个碳原子的烷氧基，磺酰胺可能被1至4个碳原子的烷基基团取代；或者一起成为亚甲二氧基，n为0或1，为外消旋或光学异构体形式，以及它们与药学上可接受的酸的加成盐。在治疗与肾上腺素受体相关的疾病和/或病症方面有用，这种关系在艺术中是众所周知的。
• TRICYCLIC HETEROCYCLIC DERIVATIVES
  申请人：Davies Keneth

  公开号：US20120232122A1

  公开（公告）日：2012-09-13

  The present invention relates to a tricyclic heterocyclic derivative according to Formula (I), wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to pharmaceutical compositions comprising said tricyclic heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of serotonin mediated disorders, such as obesity.

  本发明涉及一种三环杂环衍生物，其符合公式（I）中定义的变量，或其药学上可接受的盐或溶剂。本发明还涉及包含所述三环杂环衍生物的制药组合物，以及它们在治疗中的用途，例如在治疗或预防血清素介导的疾病，如肥胖症方面的应用。