1-[1-((6-chloropyridine-3-yl)methyl)pyridine-2(1H)-ylidene]-3-ethylthiourea | 1453841-03-6

• 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: 1-[1-((6-chloropyridine-3-yl)methyl)pyridine-2(1H)-ylidene]-3-ethylthiourea
• 英文别名: 1-[1-[(6-chloropyridin-3-yl)methyl]pyridin-2-ylidene]-3-ethylthiourea
• CAS: 1453841-03-6
• 化学式: C₁₄H₁₅ClN₄S
• 分子量: 306.819
• InChiKey: YIXCYLUERKGXKC-UHFFFAOYSA-N

物化性质

• 沸点：
  463.6±55.0 °C(predicted)
• 密度：
  1.26±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异硫氰酸乙酯 、 1-[(6-chloro-3-pyridyl)methyl]pyridin-1-ium-2-amine chloride 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 11.0h， 以56%的产率得到1-[1-((6-chloropyridine-3-yl)methyl)pyridine-2(1H)-ylidene]-3-ethylthiourea
  参考文献：
  名称：

  Nitrogen-containing heterocyclic derivate having 2-imino group and pest control agent including the same

  摘要：

  公开号：

  EP2634174B1

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME
  申请人：MEIJI SEIKA PHARMA CO., LTD.

  公开号：US20150005347A1

  公开（公告）日：2015-01-01

  Provided is a nitrogen-containing heterocyclic derivative having a 2-imino group, which is represented by the following Formula (I). [in the formula, Ar represents a phenyl group which may be substituted, a 5- to 6-membered heterocycle which may be substituted, or a 4- to 10-membered heterocycloalkyl group, A represents a heterocycle having a 5- to 10-membered unsaturated bond including one or more nitrogen atoms, and has an imino group substituted with an R group at a position adjacent to the nitrogen atom present on the cycle, Y represents a hydrogen atom, a halogen atom, a hydroxyl group, a C1 to C6 alkyl group which may be substituted with a halogen atom, a C1 to C6 alkyloxy group which may be substituted with a halogen atom, a cyano group, or a nitro group, and R represents any one of groups represented by the following Formulae (a) to (e), (y) or (z).]

  提供的是一种含氮杂环衍生物，具有2-亚氨基基团，其化学式如下（I）所示。[在该式中，Ar代表可能被取代的苯基，可能被取代的5-至6-元杂环或4-至10-元杂环烷基基团，A代表含有5-至10-元不饱和键的杂环，其中包括一个或多个氮原子，并且在环上存在一个邻位于氮原子处的被R基取代的亚氨基，Y代表氢原子、卤素原子、羟基、可能被卤素原子取代的C1至C6烷基、可能被卤素原子取代的C1至C6烷氧基、氰基或硝基，R代表以下化学式（a）至（e）、（y）或（z）中的任意一种基团。]
• Nitrogen-containing hetercyclic derivate having 2-imino group and pest control agent including the same
  申请人：Meiji Seika Pharma Co., Ltd.

  公开号：EP2634174A2

  公开（公告）日：2013-09-04

  Provided is a nitrogen-containing heterocyclic derivative having a 2-imino group, which is represented by the following Formula (I). [in the formula, Ar represents a phenyl group which may be substituted, a 5- to 6-membered heterocycle which may be substituted, or a 4- to 10-membered heterocycloalkyl group, A represents a heterocycle having a 5- to 10-membered unsaturated bond including one or more nitrogen atoms, and has an imino group substituted with an R group at a position adj acent to the nitrogen atom present on the cycle, Y represents a hydrogen atom, a halogen atom, a hydroxyl group, a C1 to C6 alkyl group which may be substituted with a halogen atom, a C1 to C6 alkyloxy group which may be substituted with a halogen atom, a cyano group, or a nitro group, and R represents any one of groups represented by the following Formulae (a) to (e), (y) or (z).]

  本发明提供了一种具有 2-亚氨基的含氮杂环衍生物，它由下式（I）表示。 [式中，Ar 代表可被取代的苯基、可被取代的 5 至 6 元杂环或 4 至 10 元杂环烷基，A 代表具有 5 至 10 元不饱和键的杂环，包括一个或多个氮原子，并在与存在于循环上的氮原子相邻的位置上具有被 R 基取代的亚氨基、Y 代表氢原子、卤素原子、羟基、可被卤素原子取代的 C1 至 C6 烷基、可被卤素原子取代的 C1 至 C6 烷氧基、氰基或硝基，R 代表下式 (a)至 (e)、(y) 或 (z) 所代表的任何一个基团。]
• [EN] NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME<br/>[FR] DÉRIVÉ HÉTÉROCYCLIQUE CONTENANT DE L'AZOTE COMPRENANT UN GROUPE 2-IMINO ET AGENT DE LUTTE CONTRE LES NUISIBLES LE CONTENANT
  申请人：MEIJI SEIKA PHARMA CO LTD

  公开号：WO2013129692A2

  公开（公告）日：2013-09-06

  Provided is a nitrogen-containing heterocyclic derivative having a 2-imino group, which is represented by the following Formula (I). [Chemical Formula 1] [in the formula, Ar represents a phenyl group which may be substituted, a 5- to 6-membered heterocycle which may be substituted, or a 4- to 10-membered heterocycloalkyl group, A represents a heterocycle having a 5- to 10-membered unsaturated bond including one or more nitrogen atoms, and has an imino group substituted with an R group at a position adjacent to the nitrogen atom present on the cycle, Y represents a hydrogen atom, a halogen atom, a hydroxyl group, a C1 to C6 alkyl group which may be substituted with a halogen atom, a C1 to C6 alkyloxy group which may be substituted with a halogen atom, a cyano group, or a nitro group, and R represents any one of groups represented by the following Formulae (a) to (e), (y) or (z).] [Chemical Formula 2]