1-(4-Methylcyclohexen-1-yl)pentan-1-one | 1219688-24-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Methylcyclohexen-1-yl)pentan-1-one
• 英文别名: 1-(4-methylcyclohexen-1-yl)pentan-1-one
• CAS: 1219688-24-0
• 化学式: C₁₂H₂₀O
• 分子量: 180.29
• InChiKey: FQLRKQIUMOPZGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-Methylcyclohexen-1-yl)pentan-1-one 在 盐酸 、 双氧水 作用下， 以 水 为溶剂， 反应 10.0h， 生成 1,2-dihydroxy-4-methyl-1-pentanoylcyclohexane
  参考文献：
  名称：

  Study of induced hypohalogenation of 1-alkyl(4-methylcyclohex-1-enyl)alkanones, and chemical transformations of the obtained compounds

  摘要：

  Induced hydroxyhalogenation of alkyl cyclohexenyl ketones in the systems [MHlg-HX or HHlg]-H2O2 or (NaClO) was performed and the optimal conditions of this reaction were elucidated. It is established that in the system in situ is induced a hypohaloid acid HClO or HBrO is produced that then enters into electrophilic addition at the ring double bond affording hydroxyhalo derivatives of the cycloaliphatic ketones. The alkyl cyclohexenyl ketone chloro(bromo)hydrines and the oxiranes obtained from them are very reactive compounds and can be used as initial compounds for the synthesis of many individual organic compounds

  DOI：

  10.1134/s1070363209080180
• 作为产物：
  描述：

  4-甲基-1-环己烯 、 戊酰氯 在 SnCl₄ on a solid carrier HNa-modernit 作用下， 以46.5%的产率得到1-(4-Methylcyclohexen-1-yl)pentan-1-one
  参考文献：
  名称：

  Study of induced hypohalogenation of 1-alkyl(4-methylcyclohex-1-enyl)alkanones, and chemical transformations of the obtained compounds

  摘要：

  Induced hydroxyhalogenation of alkyl cyclohexenyl ketones in the systems [MHlg-HX or HHlg]-H2O2 or (NaClO) was performed and the optimal conditions of this reaction were elucidated. It is established that in the system in situ is induced a hypohaloid acid HClO or HBrO is produced that then enters into electrophilic addition at the ring double bond affording hydroxyhalo derivatives of the cycloaliphatic ketones. The alkyl cyclohexenyl ketone chloro(bromo)hydrines and the oxiranes obtained from them are very reactive compounds and can be used as initial compounds for the synthesis of many individual organic compounds

  DOI：

  10.1134/s1070363209080180

文献信息

• [EN] ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFNα RESPONSES<br/>[FR] COMPOSÉS PYRIDYLE SUBSTITUÉS PAR ALKYL-AMIDE, UTILES COMME MODULATEURS D'IL-12, IL-23 ET/OU DE RÉPONSES À L'IFN&Agr;
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014074660A1

  公开（公告）日：2014-05-15

  Compounds having the following formula (I): or a stereoisomer or pharmaceutically-acceptable salt thereof, where R1, R2, R3, R4, and R5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.

  具有以下化学式（I）的化合物，或其立体异构体或药用可接受盐，其中R1、R2、R3、R4和R5如本文所定义，在通过作用于Tyk-2引起信号转导抑制的过程中，对IL-12、IL-23和/或IFNα的调节是有用的。
• Study of induced hypohalogenation of 1-alkyl(4-methylcyclohex-1-enyl)alkanones, and chemical transformations of the obtained compounds
  作者：O. A. Sadygov

  DOI：10.1134/s1070363209080180

  日期：2009.8

  Induced hydroxyhalogenation of alkyl cyclohexenyl ketones in the systems [MHlg-HX or HHlg]-H2O2 or (NaClO) was performed and the optimal conditions of this reaction were elucidated. It is established that in the system in situ is induced a hypohaloid acid HClO or HBrO is produced that then enters into electrophilic addition at the ring double bond affording hydroxyhalo derivatives of the cycloaliphatic ketones. The alkyl cyclohexenyl ketone chloro(bromo)hydrines and the oxiranes obtained from them are very reactive compounds and can be used as initial compounds for the synthesis of many individual organic compounds