3-methyl-1,2-dichlorocyclohexane

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: 3-methyl-1,2-dichlorocyclohexane
• 英文别名: 1,2-Dichloro-3-methylcyclohexane；1,2-dichloro-3-methylcyclohexane
• 化学式: C₇H₁₂Cl₂
• 分子量: 167.078
• InChiKey: KVGKDTORSXMDKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3-甲基-1-环己烯 在 Mn(IV)(N,N'-disalicylidene-1,3-diaminopropane^(2-))Cl₂ 作用下， 以 二氯甲烷 为溶剂， 以14%的产率得到3-methyl-1,2-dichlorocyclohexane
  参考文献：
  名称：

  A structurally characterized dichloro-manganese(IV) complex capable of halogenating alkenes

  摘要：

  MnIV(salpn)Cl2在反应中区域选择性地通过反位卤素交换机制卤化烯烃，并且其中的锰化合物产物也被鉴定出来；这是首个基于锰的卤化体系，其反应活性中间体和最终的含锰产物都被结构性地表征出来。

  DOI：

  10.1039/c39950002015

文献信息

• [EN] REAGENTS AND METHODS FOR ALIPHATIC CARBON—HYDROGEN BOND FUNCTIONALIZATION<br/>[FR] RÉACTIFS ET PROCÉDÉS DE FONCTIONNALISATION DE LIAISON CARBONE-HYDROGÈNE ALIPHATIQUE
  申请人：[en]THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：WO2022241129A1

  公开（公告）日：2022-11-17

  The subject matter contained herein relates generally to methods and compounds that facilitate aliphatic carbon-hydrogen bond functionalization by group transfer via a nitrogen-centered radical in the presence of a trap, and the functionalized compounds prepared therefrom. The subject matter described herein provides a platform and the ability to efficiently and selectively introduce a range of valuable functionality on diverse hydrocarbon substrates ranging from methane to polyolefins with >3500 carbon atoms. As described herein, the reagents employed can form reactive N-centered radicals, the kinetics of which do not compete with companion radical traps. This technology finds usefulness in enhancing capabilities in late-stage diversification, while the molecules and materials now made accessible can provide solutions to important challenges in medicinal chemistry and materials science.
• A structurally characterized dichloro-manganese(IV) complex capable of halogenating alkenes
  作者：Neil A. Law、Timothy E. Machonkin、Joel P. McGorman、Erlund J. Larson、Jeff W. Kampf、Vincent L. Pecoraro

  DOI：10.1039/c39950002015

  日期：——

  MnIV(salpn)Cl2 regioselectively trans-halogenates alkenes in a reaction for which the Mn-containing product is also identified; this is the first Mn-based halogenating system for which the reactive and final Mn-containing products are structurally characterized.

  MnIV(salpn)Cl2在反应中区域选择性地通过反位卤素交换机制卤化烯烃，并且其中的锰化合物产物也被鉴定出来；这是首个基于锰的卤化体系，其反应活性中间体和最终的含锰产物都被结构性地表征出来。