3-氰基-3,5,5-三甲基环己烷 | 72641-12-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-氰基-3,5,5-三甲基环己烷
• 英文名称: 1-Cyano-1,5,5-trimethyl-cyclohexan
• 英文别名: 3-cyano-3,5,5-trimethyl cyclohexane；1,3,3-trimethylcyclohexane-1-carbonitrile
• CAS: 72641-12-4
• 化学式: C₁₀H₁₇N
• 分子量: 151.252
• InChiKey: QWQCLVRSGLAIMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  219.7±9.0 °C(Predicted)
• 密度：
  0.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-氰基-3,5,5-三甲基环己烷 生成 异佛尔酮二胺
  参考文献：
  名称：

  Process for producing amines

  摘要：

  通过以下过程可以高产地生产胺类物质：在活性炭存在下，让环状酮与氨反应生成亚胺衍生物，然后在加氢催化剂存在下，让亚胺衍生物与氢反应。

  公开号：

  US05395972A1
• 作为产物：
  描述：

  异佛尔酮腈 在 2,6-二甲基吡啶 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-氰基-3,5,5-三甲基环己烷
  参考文献：
  名称：

  Synthesis of3H-labeled 2-hydroxy-N-[(1,3,3-trimethyl-[4,5,6-3H]cyclohexyl)methyl]-5-azidobenzamide, a photoaffinity analog of an influenza fusion inhibitor

  摘要：

  DOI：

  10.1002/(sici)1099-1344(199910)42:10<965::aid-jlcr255>3.0.co;2-k

文献信息

• Method for production of 3-cyano-3,5,5-trimethyl cyclohexanone
  申请人：Nippon Chemicals Co., Ltd.

  公开号：US05179221A1

  公开（公告）日：1993-01-12

  A method for the production of 3-cyano-3,5,5-trimethyl cyclohexanone by the reaction of isophorone with hydrogen cyanide in the presence of a quaternary ammonium salt or quaternary phosphonium salt and a basic compound as a catalyst in the form dissolved or dispersed in water or in the absence of water, which method comprises effecting said reaction by using said quaternary ammonium salt or quaternary phosphonium salt in an amount in the range of from 0.001 to 0.1 mol per mol of isophorone and said basic compound and in an amount in the range of from 0.5 to 3.0 mols per mol of said quaternary ammonium salt or quaternary phosphonium salt and, when water is used, using water in an amount in the range of 0.1 to 25% by weight based on the amount of isophorone and introducing hydrogen cyanidehydrocyanic acid at a ratio in the range of from 0.6 to 1.0 mol per mol of isophorone at a temperature in the range of from 90.degree. to 140.degree. C.

  一种通过异佛酮与氰化氢在四元铵盐或四元膦盐存在下以及以一种碱性化合物作为催化剂的形式溶解或分散在水中或在无水的情况下反应来生产3-氰基-3,5,5-三甲基环己酮的方法，所述方法包括使用四元铵盐或四元膦盐，其用量范围为异佛酮的摩尔量的0.001至0.1摩尔，并且使用碱性化合物的量范围为所述四元铵盐或四元膦盐的摩尔量的0.5至3.0摩尔，当使用水时，使用水的量范围为异佛酮量的0.1至25%的重量，并在温度范围为90°C至140°C时以氰化氢的摩尔量与异佛酮的摩尔量比为0.6至1.0进行所述反应。
• Process for producing amines starting from cyclic ketones
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0611137A1

  公开（公告）日：1994-08-17

  Amines are produced in high yield by the process which comprises allowing a cyclic ketone to react with ammonia in the presence of active carbon to produce imino derivatives and then, allowing the imino derivatives to react with hydrogen in the presence of a hydrogenating catalyst.

  胺的高产率生产工艺包括让环状酮在活性碳存在下与氨反应生成亚氨基衍生物，然后让亚氨基衍生物在氢化催化剂存在下与氢反应。
• Selective transformation of aliphatic alcohols to alkanes by electroreductive method
  作者：Tatsuya Shono、Yoshihiro Matsumura、Kenji Tsubata、Sugihara Yoshihiro

  DOI：10.1016/s0040-4039(01)86289-4

  日期：1979.1
• Neutralization of isophorone nitrile synthesis products
  申请人：Oftring Alfred

  公开号：US20060058544A1

  公开（公告）日：2006-03-16

  The present invention relates to a process for preparing 3-cyano-3,5,5-trimethylcyclohexanone (isophoronenitrile) by reacting isophorone with hydrogen cyanide in the presence of a base as a catalyst to obtain a crude isophoronenitrile product, and subsequently distilling the crude isophoronenitrile product, with the addition before distillation of at least one specific sulfonic acid or specific carboxylic acid. In addition, the present invention relates to the use of a specific sulfonic acid or of a specific carboxylic acid as a neutralizing agent before distillation of a crude isophoronenitrile product which has been obtained by reacting isophorone with hydrogen cyanide in the presence of a base as a catalyst, in order to avoid precipitates in the neutralization of the base used as a catalyst with an acid.
• US5179221A
  申请人：——

  公开号：US5179221A

  公开（公告）日：1993-01-12