1,2-环己基二甲醇 | 3971-29-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2-环己基二甲醇
• 中文别名: 1,2-环己烷二甲醇
• 英文名称: 1,2-bis(hydroxymethyl)cyclohexane
• 英文别名: 1,2-cyclohexanedimethanol；1,2-dihydroxymethylcyclohexane；Cyclohexan-1,2-dimethanol；Hexahydro-phthalylalkohol；cyclohexane-1,2-diyldimethanol；1,2-Bis-hydroxymethyl-cyclohexan；1,6 cyclohexane dimethanol；Hexahydro-o-xylylenglykol；Hexahydrophthalalkohol；[2-(hydroxymethyl)cyclohexyl]methanol
• CAS: 3971-29-7
• 化学式: C₈H₁₆O₂
• mdl: MFCD19300921
• 分子量: 144.214
• InChiKey: XDODWINGEHBYRT-UHFFFAOYSA-N

物化性质

• 熔点：
  57℃
• 沸点：
  145-146℃ (5 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  存储条件：2-8℃，请保持干燥并密封。

反应信息

• 作为反应物：
  描述：

  1,2-环己基二甲醇 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 hexahydrophthalaldehyde
  参考文献：
  名称：

  1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide: An effective scaffold for the design of either CB1 or CB2 receptor ligands

  摘要：

  New 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides were synthesized as cannabinoid (CB) receptor ligands. Compound 11 (CB1 K-i = 2.3 nM, CB1 SI = 163.6) showed CB1 receptor affinity and selectivity superior to Rimonabant and AM251. Acute administration of 2 mg/kg 11 reduced sucrose, but not regular food, intake in rats. On the other hand, compound 23 (CB2 K-i = 0.51 nM, CB2 SI =30.0) showed significant affinity and selectivity for the CB2 receptor. The results presented here show that the 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide may serve as an effective scaffold for the design of either CB1 or CB2 receptor ligands. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.09.037
• 作为产物：
  描述：

  1,7-辛二烯 在 zirconocene dichloride 、 二丁基镁 、 氧气 作用下， 生成 1,2-环己基二甲醇
  参考文献：
  名称：

  Zirconium-catalyzed diene and alkyl-alkene coupling reactions with magnesium reagents

  摘要：

  DOI：

  10.1021/ja00016a052

文献信息

• METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH
  申请人：BASF SE

  公开号：US20170260115A1

  公开（公告）日：2017-09-14

  A process for preparing trans-enriched MDACH, including: distilling an MDACH starting mixture in the presence of an auxiliary, which is an organic compound having a molar mass of 62 to 500 g/mol, a boiling point at least 5° C. above the boiling point of cis,cis-2,6-diamino-1-methylcyclohexane, and 2 to 4 functional groups, each of which is independently an alcohol group or a primary, secondary or tertiary amino group. The MDACH starting mixture includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, based on the total amount of MDACH present in the MDACH starting mixture. The MDACH starting mixture includes both trans and cis isomers. Trans-enriched MDACH includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, where the proportion of trans isomers in the mixture is higher than the proportion of trans isomers in the MDACH starting mixture.

  制备富含反式异构体MDACH的方法，包括：在辅助剂的存在下蒸馏MDACH起始混合物，所述辅助剂是一种有着62至500克/摩尔的摩尔质量、沸点至少比顺式、顺式-2,6-二氨基-1-甲基环己烷的沸点高出至少5摄氏度，并且具有2至4个官能团，每个官能团独立地是醇基团或一级、二级或三级氨基团的有机化合物。MDACH起始混合物包括以MDACH起始混合物中MDACH总量为基础的0至100%重量的2,4-MDACH和0至100%重量的2,6-MDACH。MDACH起始混合物包括反式和顺式异构体。富含反式异构体的MDACH包括以2,4-MDACH和2,6-MDACH的0至100%重量为基础，其中混合物中反式异构体的比例高于MDACH起始混合物中反式异构体的比例。
• ANTIREFLECTIVE COMPOSITIONS WITH THERMAL ACID GENERATORS
  申请人：Rohm and Haas Electronic Materials Korea Ltd.

  公开号：US20190085173A1

  公开（公告）日：2019-03-21

  New methods and substrates are provided that include antireflective compositions that comprise one or more thermal acid generators.

  提供了包括一个或多个热酸发生剂的防反射组分的新方法和基板。
• Lanthanoids in Organic Synthesis. I. The Novel Reduction of Carboxylic Acids with Samarium Diiodide-Base System
  作者：Yasuko Kamochi、Tadahiro Kudo

  DOI：10.1246/bcsj.65.3049

  日期：1992.11

  were rapidly reduced with samarium diiodide by the addition of base in the presence of protic solvent at room temperature to the corresponding alcohols. Sodium benzoate was similarly reduced with samarium diiodide in the presence of H2O in a good yield. In the similar reactions of benzoic acid derivatives bearing carboxyl, formyl, carbamoyl, methoxyl, and chloro groups, these functional groups were

  通过在室温下在质子溶剂的存在下将碱添加到相应的醇中，芳香族和脂肪族羧酸被二碘化钐迅速还原。在 H2O 存在下用二碘化钐同样还原苯甲酸钠，收率良好。在带有羧基、甲酰基、氨基甲酰基、甲氧基和氯基的苯甲酸衍生物的类似反应中，这些官能团也被还原为相应的醇或胺衍生物。有趣的是，苯甲酸的羧基和甲酰基部分被还原为甲基。
• A novel approach towards the synthesis of functionalized taxane skeleton employing wittig rearrangement
  作者：J.S. Yadav、Renduchintala Ravishankar

  DOI：10.1016/s0040-4039(00)78803-4

  日期：1991.6

  An expeditious synthesis of Taxol skeleton is described utilizing the combination of intramolecular Diels-Alder (IMDA) and Wittig rearrangement reactions.

  利用分子内Diels-Alder（IMDA）和Wittig重排反应的组合描述了紫杉醇骨架的快速合成方法。
• Three bacteriorhodopsins with ring-didemethylated 6-<i>s</i>-locked chromophores and their properties
  作者：M. Groesbeek、A. J. J. van Galen、J. H. Ippel、J. A. Berden、J. Lugtenburg

  DOI：10.1002/recl.19931120401

  日期：——

  corresponding conjugated nitrile was accomplished using triethylsilane and trifluoroacetic acid. The three locked retinals interact with bacterioopsin to form bacteriorhodopsin with about the same rate as the native chromophore. This work proves that steric interaction of the 1,1-dimethyl group in the chromophore is an important factor in binding to bacterioopsin.

  三个新颖的6- s锁紧刚性视网膜，外消旋全-E 1,5-二甲基-8,16-甲基视网膜，全-E 1,1-二甲基-8,18-甲基视网膜和全-E。在100mg规模上以高收率高产率地制备了8a，18-二氢-1、1-二甲基-8，18-甲基视黄醛。为了制备合成1,5-二甲基8,16-甲基视黄醛中的关键中间体，使用三乙基硅烷和三氟乙酸完成了不饱和氰醇到相应的共轭腈的还原氰化反应。三个锁定的视网膜与细菌视紫红质相互作用形成细菌视紫红质，其速率与天然发色团的速率大致相同。这项工作证明了生色团中的1,1-二甲基的空间相互作用是结合细菌素的重要因素。

表征谱图