4-cyano-3-methylbenzoyl chloride | 1160759-52-3

• 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: 4-cyano-3-methylbenzoyl chloride
• 英文别名: 4-Cyano-3-methylbenzoyl chloride
• CAS: 1160759-52-3
• 化学式: C₉H₆ClNO
• 分子量: 179.606
• InChiKey: BMONGHDYVFYZLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-cyano-3-methylbenzoyl chloride 在 sodium tetrahydroborate 、 三乙胺 、 cobalt(II) chloride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 4-(4-Aminomethyl-3-methylbenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine
  参考文献：
  名称：

  Non-peptide oxytocin agonists

  摘要：

  A library of compounds targeted to the vasopressin/oxytocin family of receptors was screened for activity at a cloned human oxytocin receptor using a reporter gene assay. Potency and selectivity were optimised to afford compound 39, EC50 = 33 nM. This series of compounds represents the first disclosed, non-peptide, low molecular weight agonists of the hormone oxytocin (OT). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.107
• 作为产物：
  描述：

  4-溴-2-甲基苯腈 在 正丁基锂 、 氯化亚砜 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 4-cyano-3-methylbenzoyl chloride
  参考文献：
  名称：

  Non-peptide oxytocin agonists

  摘要：

  A library of compounds targeted to the vasopressin/oxytocin family of receptors was screened for activity at a cloned human oxytocin receptor using a reporter gene assay. Potency and selectivity were optimised to afford compound 39, EC50 = 33 nM. This series of compounds represents the first disclosed, non-peptide, low molecular weight agonists of the hormone oxytocin (OT). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.107

文献信息

• [EN] HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS<br/>[FR] COMPOSES CONDENSES HETEROCYCLIQUES UTILISES EN TANT QU'ANTIDIURETIQUES
  申请人：FERRING BV

  公开号：WO2006018443A1

  公开（公告）日：2006-02-23

  The invention concerns compounds according to general formulae 1, wherein G1 is an amine. Compounds according to the invention are vasopressin V2 receptor agonists. Pharmaceutical compositions of the compounds are useful as antidiuretic agents.

  这项发明涉及通式1中的化合物，其中G1是胺基。根据该发明的化合物是抗利尿激素V2受体激动剂。这些化合物的药物组合物可用作抗利尿剂。
• New Benzylureas as a Novel Series of Potent, Nonpeptidic Vasopressin V2 Receptor Agonists
  作者：Christopher M. Yea、Christine E. Allan、Doreen M. Ashworth、James Barnett、Andy J. Baxter、Janice D. Broadbridge、Richard J. Franklin、Sally L. Hampton、Peter Hudson、John A. Horton、Paul D. Jenkins、Andy M. Penson、Gary R. W. Pitt、Pierre Rivière、Peter A. Robson、David P. Rooker、Graeme Semple、Andy Sheppard、Robert M. Haigh、Michael B. Roe

  DOI：10.1021/jm8008162

  日期：2008.12.25

  proven an effective drug for diseases where a reduction of urine output is desired. However, its peptidic nature limits its bioavailability. We report herein the discovery of potent, nonpeptidic, benzylurea derived agonists of the vasopressin V2 receptor. We describe substitutions on the benzyl group to give improvements in potency and subsequent modifications to the urea end group to provide improvements

  加压素（AVP）是一种激素，可通过激活肾脏中的V2受体来刺激水渗透性的增加。AVP的去氨加压素类似物已被证明可有效治疗需要减少尿量的疾病。但是，其肽性质限制了其生物利用度。我们在此报告了加压素V2受体有效，非肽类，苄脲衍生的激动剂的发现。我们描述了苄基上的取代，以提高效力，随后对尿素端基进行了修饰，从而在利尿大鼠模型中提高了溶解度并提高了口服功效。首次报道了铅化合物20e（VA106483），已被选择用于临床开发。
• Piperazines as oxytocin agonists
  申请人：Ferring B.V.

  公开号：EP1512687A1

  公开（公告）日：2005-03-09

  Disclosed are novel compounds according to general formula I, which have shown OT agonist activity.

  根据一般公式I揭示了具有OT激动剂活性的新化合物。
• [EN] INSECTICIDAL COMPOUNDS<br/>[FR] COMPOSÉS INSECTICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2010006725A1

  公开（公告）日：2010-01-21

  A compound of formula (I) wherein A1, A2, A3, A4, G1, G2, R1, R2, L, Q1, and Q2 are as defined in claim 1; or a salt or N- oxide thereof. Furthermore, the present invention relates to processes and intermediates for preparing compounds of formula (I), to insecticidal, acaricidal, molluscicidal and nematicidal compositions comprising them and to methods of using them to combat and control insect, acarine, mollusc and nematode pests.

  公式（I）的化合物，其中A1、A2、A3、A4、G1、G2、R1、R2、L、Q1和Q2如权利要求1所定义；或其盐或N-氧化物。此外，本发明涉及制备公式（I）化合物的过程和中间体，包括杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂组合物，并使用它们来对抗和控制昆虫、螨、软体动物和线虫害虫的方法。
• Rhodium(III)-Catalyzed Synthesis of Quinazolin-4(3H)-ones with N-Methoxyamides as Synthesis Reagents
  作者：Bao Li、Yingsheng Zhao、Guanyu Zhou、Zhibin Huang、Xu Xu、Zhang Fang、Pengcheng Huang、Zefeng Deng

  DOI：10.1055/a-1792-9930

  日期：2022.7

  A practical method to synthesize quinoxalinones via intra/intermolecular amination using rhodium as the catalyst was developed. A wide variety of quinoxalinones were prepared from N-methoxybenzamides in moderate to excellent yields. Gram-scale reactions were also achieved, highlighting the synthetic importance of this new transformation.

  开发了一种以铑为催化剂通过分子内/分子间胺化合成喹喔啉酮的实用方法。由N-甲氧基苯甲酰胺以中等至优异的产率制备了多种喹喔啉酮。还实现了克级反应，突出了这种新转化的综合重要性。