N-benzyl-1-(2,2-dichlorocyclopropyl)methanamine | 1339375-31-3

• 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: N-benzyl-1-(2,2-dichlorocyclopropyl)methanamine
• 英文别名: N-benzyl-1,1-(2,2-dichlorocyclopropyl)methyl-amine
• CAS: 1339375-31-3
• 化学式: C₁₁H₁₃Cl₂N
• mdl: MFCD18839958
• 分子量: 230.137
• InChiKey: LXLZRYSRGOGXEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-benzyl-1-(2,2-dichlorocyclopropyl)methanamine 、 氯乙酸甲酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以88%的产率得到methyl N-benzyl-N-[(2,2-dichlorocyclopropyl)methyl]glycinate
  参考文献：
  名称：

  一系列一氯乙酸的杂环和碳环衍生物的合成及其除草和抗氧化活性

  摘要：

  摘要合成了含有碳和杂环的一氯乙酸酯和酰胺，以及衍生自商业芳氧基乙酰氯的杂环酯和酰胺。化合物的结构经证实1 Н和13 С光谱。研究了该物质对单子叶和双子叶植物的除草活性。通过记录鲁米诺依赖性化学发光来研究化合物的相对抗氧化活性。总体而言，实验数据证实，开发含有乙缩醛和双氯二氯环丙烷片段的除草剂是适当且有希望的。

  DOI：

  10.1134/s1070427220050122
• 作为产物：
  描述：

  1,1-二氯-2-(氯甲基)环丙烷 、 苄胺 以 二甲基亚砜 为溶剂， 反应 4.0h， 生成 N-benzyl-1-(2,2-dichlorocyclopropyl)methanamine
  参考文献：
  名称：

  Synthesis of amino derivatives of 1,3,5-triazines containing hetero- and carbocyclic moieties

  摘要：

  Reactions of chloro-sim-triazines with secondary amines containing 1,3-dioxolane and hem-dichlorocyclopropane moieties were studied. Structures of amino derivatives of 1,3,5-triazines containing cyclic acetal and cyclopropane moieties were examined.

  DOI：

  10.1134/s1070427212020139

文献信息

• Reductive amination catalyzed by iridium complexes using carbon monoxide as a reducing agent
  作者：Alexey P. Moskovets、Dmitry L. Usanov、Oleg I. Afanasyev、Vasilii A. Fastovskiy、Alexander P. Molotkov、Karim M. Muratov、Gleb L. Denisov、Semen S. Zlotskii、Alexander F. Smol'yakov、Dmitry A. Loginov、Denis Chusov

  DOI：10.1039/c7ob01005b

  日期：——

  methodologies to provide access to amines represents a goal of fundamental importance. Herein we describe a systematic study for the construction of a variety of amines catalyzed by a well-defined homogeneous iridium complex using carbon monoxide as a reducing agent. The methodology was shown to be compatible with functional groups prone to reduction by hydrogen or complex hydrides.

  开发新颖，可持续的催化方法以提供与胺的接触代表了具有根本重要性的目标。本文中，我们描述了使用一氧化碳作为还原剂，通过定义明确的均相铱络合物催化的各种胺的构建的系统研究。结果表明，该方法与易于被氢或复杂氢化物还原的官能团兼容。
• Iridium Halide Complexes [1,1‐X ₂ ‐8‐SMe ₂ ‐1,2,8‐IrC ₂ B ₉ H ₁₀ ] ₂ (X = Cl, Br, I): Synthesis, Reactivity and Catalytic Activity
  作者：Alexander P. Molotkov、Mikhail M. Vinogradov、Alexey P. Moskovets、Olga Chusova、Sergey V. Timofeev、Vasilii A. Fastovskiy、Yulia V. Nelyubina、Alexander A. Pavlov、Denis A. Chusov、Dmitry A. Loginov

  DOI：10.1002/ejic.201700498

  日期：2017.10.25

  The reactions of thallium salt Tl[7-SMe2-7,8-C2B9H10] with [(cod)RhCl]2 and [Cp*RuCl]4 are accompanied by room-temperature polyhedral rearrangement, giving rhoda- and ruthenacarboranes 1-cod-8-SMe2-1,2,8-RhC2B9H10 (2) and 1-Cp*-8-SMe2-1,2,8-RuC2B9H10 (3), respectively. According to DFT calculations, the rearrangement could be attributed to the triangular face rotation mechanism. The reaction of iridium

  salt盐Tl [7-SMe 2 -7,8-C 2 B 9 H 10 ]与[（cod）RhCl] 2和[Cp * RuCl] 4的反应伴随有室温多面体重排，得到rhoda-和钌碳硼烷1-cod-8-SMe 2 -1,2,8-RhC 2 B 9 H 10（2）和1-Cp * -8-SMe 2 -1,2,8-RuC 2 B 9 H 10（3）。根据DFT计算，重排可以归因于三角形面旋转机制。铱衍生物1-cod-8-SMe的反应2 -1,2,8-IRC 2乙9 ħ 10（1）用无水氢卤酸HX（X =氯，溴，I）导致二聚体卤化物iridacarboranes [1,1-X 2 -8-SME 2 - 1,2,8-IrC 2 B 9 H 10 ] 2 [ 4a – c ; X ＝ Cl（a），Br（b），I（c）]。溴化物4B与铊[铊（η-7,8--C发生反应2乙9 ħ 11）]和TLCP给予iridacarboranes
• Synthesis of tertiary amines containing gem-dichlorocyclopropane and cycloacetal fragments
  作者：G. Z. Raskil’dina、V. F. Valiev、S. S. Zlotskii

  DOI：10.1134/s1070427216050116

  日期：2016.5

  Reactions of secondary amines containing gem-dichlorocyclopropane and cycloacetal fragments with allyl chloride, trans-1,3-dichloropropene, benzyl chloride, and chloromethyl-gem-dichlorocyclopropane were studied. The corresponding tertiary amines were obtained in 20-85% yield. Microwave radiation stimulates N-alkylation of the secondary amine containing the heterocyclic moiety. The structures of the tertiary amines prepared were studied. The configuration of the double bond in the trans-1,3-dichloropropene derivative is retained.
• Synthesis and Herbicidal and Antioxidant Activity of a Series of Hetero- and Carbocyclic Derivatives of Monochloroacetic Acid
  作者：E. A. Yakovenko、Yu. L. Baimurzina、G. Z. Raskil’dina、S. S. Zlotskii

  DOI：10.1134/s1070427220050122

  日期：2020.5

  AbstractMonochloroacetic acid esters and amides containing carbo- and heterocycles and heterocyclic esters and amides derived from commercial aryloxyacetyl chlorides were synthesized. The structures of the compounds were confirmed by 1Н and 13С spectroscopy. The herbicidal activity of the substances was studied with respect to mono- and dicotyledonous plants. The relative antioxidant activity of the compounds

  摘要合成了含有碳和杂环的一氯乙酸酯和酰胺，以及衍生自商业芳氧基乙酰氯的杂环酯和酰胺。化合物的结构经证实1 Н和13 С光谱。研究了该物质对单子叶和双子叶植物的除草活性。通过记录鲁米诺依赖性化学发光来研究化合物的相对抗氧化活性。总体而言，实验数据证实，开发含有乙缩醛和双氯二氯环丙烷片段的除草剂是适当且有希望的。
• Synthesis of amino derivatives of 1,3,5-triazines containing hetero- and carbocyclic moieties
  作者：S. A. Timofeeva、G. Z. Raskil’dina、L. V. Spirikhin、S. S. Zlotskii

  DOI：10.1134/s1070427212020139

  日期：2012.2

  Reactions of chloro-sim-triazines with secondary amines containing 1,3-dioxolane and hem-dichlorocyclopropane moieties were studied. Structures of amino derivatives of 1,3,5-triazines containing cyclic acetal and cyclopropane moieties were examined.