3-(6-chloropyridin-3-ylmethyl)-2-bromoacetylimino-1,3-thiazolidine | 1203562-34-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(6-chloropyridin-3-ylmethyl)-2-bromoacetylimino-1,3-thiazolidine
• 英文别名: (Z)-2-bromo-N-(3-((6-chloropyridin-3-yl)methyl)thiazol idin-2-ylidene)acetamide；2-bromo-N-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]acetamide
• CAS: 1203562-34-8
• 化学式: C₁₁H₁₁BrClN₃OS
• 分子量: 348.651
• InChiKey: KCKUZKKXCLSYDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  溴乙酸 、 3-(2-chloro-5-pyridinylmethyl)-2-iminothiazolidine 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-(6-chloropyridin-3-ylmethyl)-2-bromoacetylimino-1,3-thiazolidine
  参考文献：
  名称：

  N-Haloacetylimino neonicotinoids: Potency and molecular recognition at the insect nicotinic receptor

  摘要：

  This structure-activity relationship study for neonicotinoids with an N-haloacetylimino pharmacophore identifies several candidate compounds showing outstanding insecticidal potency and consequently leads to establishing their molecular recognition at an insect nicotinic receptor structural model, wherein the neonicotinoid halogen atoms (fluorine, chlorine, bromine, and iodine) variously interact with the receptor loops C-D interfacial niche via H-bonding and/or hydrophobic interactions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.107

文献信息

• PEST CONTROL AGENT
  申请人：Kagabu Shinzo

  公开号：US20130102637A1

  公开（公告）日：2013-04-25

  Provided is a novel pest control agent using at least one imino derivative represented by the following chemical formula (I):

  提供了一种新型的杀虫剂，其至少使用以下化学式（I）所代表的亚胺衍生物。
• N-Haloacetylimino neonicotinoids: Potency and molecular recognition at the insect nicotinic receptor
  作者：Motohiro Tomizawa、Kathleen A. Durkin、Ikuya Ohno、Kyoko Nagura、Mio Manabe、Satoru Kumazawa、Shinzo Kagabu

  DOI：10.1016/j.bmcl.2011.04.107

  日期：2011.6

  This structure-activity relationship study for neonicotinoids with an N-haloacetylimino pharmacophore identifies several candidate compounds showing outstanding insecticidal potency and consequently leads to establishing their molecular recognition at an insect nicotinic receptor structural model, wherein the neonicotinoid halogen atoms (fluorine, chlorine, bromine, and iodine) variously interact with the receptor loops C-D interfacial niche via H-bonding and/or hydrophobic interactions. (C) 2011 Elsevier Ltd. All rights reserved.