(+/-)-2-phenylcyclohexanemethanol | 92077-68-4

• 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: (+/-)-2-phenylcyclohexanemethanol
• 英文别名: trans-2-Phenylcyclohexanmethanol；(+)-trans-1-Hydroxymethyl-2-phenylcyclohexan；(2-Phenylcyclohexyl)methanol
• CAS: 92077-68-4
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: MJXMWXWVIXLIGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (+/-)-2-phenylcyclohexanemethanol 在 乙醚 、 氯仿 、 五氯化磷 、 magnesium 作用下， 生成 trans-(2-phenylcyclohexyl)acetic acid
  参考文献：
  名称：

  Blumenfeld, Chemische Berichte, 1941, vol. 74, p. 524,529

  摘要：

  DOI：
• 作为产物：
  描述：

  3-phenyl-1,6-heptadiene 在 四氟硼酸-二乙醚络合物 、 potassium fluoride 、 <(Cp^TMS)2YMe>2 、 methyl(phenyl)silylene 、 双氧水 、 potassium hydrogencarbonate 作用下， 生成 (+/-)-2-phenylcyclohexanemethanol 、 (4-苯基环己基)甲醇
  参考文献：
  名称：

  Catalytic Cyclization/Silylation of Dienes Containing 1,1-Disubstituted Olefins Using Organolanthanide and Group 3 Organometallic Complexes

  摘要：

  The catalytic cyclization/silylation reaction of hindered dienes has been investigated using the relatively unhindered complexes Me2Si(C5H3SiMe3)(2)YCH(TMS)(2) and [Cp(2)(TMS)LnMe](2) (Ln = Y, Lu). A nide variety of dienes and trienes bearing a number of functional groups were cyclized, affording silanes containing quaternary centers in a diastereoselective fashion and in good yield. The products can be oxidized using one of several different protocols, yielding alcohols for further functionalization.

  DOI：

  10.1021/jo972359k

文献信息

• BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150259296A1

  公开（公告）日：2015-09-17

  Provide herein are compounds and pharmaceutical compositions suitable as modulators of hemoglobin, methods and intermediates for their preparation, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from tissue and/or cellular oxygenation.

  本文提供了适用作为血红蛋白调节剂的化合物和药物组合物，它们的制备方法和中间体，以及在治疗由血红蛋白介导的疾病和需要组织和/或细胞氧合的疾病中使用它们的方法。
• Auxiliary-directed peroxidation of 1,4-dienes
  作者：Patrick H. Dussault、Todd A. Anderson、Michael R. Hayden、Kevin J. Koeller、Q. Jason Niu

  DOI：10.1016/0040-4020(96)00744-2

  日期：1996.9

  diastereoselection is also observed for distal addition of 3O2. The extent of olefin isomerization observed during radical oxygenations can be correlated with steric constraints on the intermediate pentadienyl and peroxyl radicals and may be relevant to literature reports of olefin isomerization during enzymatic oxygenations of unnatural fatty acids.

  将单线态氧（1 O 2）添加到辅助束缚的1,4-二烯的近端烯烃中以及将三线态氧（3 O 2）添加到相应的戊二烯基的近端位置中均产生适度的共轭二烯氢过氧化物到高的非对映异构体过量。由于缺乏对烯烃构象的控制，对于向Z，Z-庚二烯的远端烯烃加成1 O 2，观察到可忽略的立体选择。尽管有证据表明戊二烯基是高度受约束的中间体，但远端添加3 O 2的非对映选择性也很差。。自由基氧合期间观察到的烯烃异构化程度可能与中间戊二烯基和过氧自由基的空间限制相关，并且可能与非天然脂肪酸酶促氧合期间烯烃异构化的文献报道有关。
• Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Stauffer Shaun R.

  公开号：US20100041667A1

  公开（公告）日：2010-02-18

  The present invention is directed to compounds of formula (I) which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及公式（I）化合物，该化合物是β-分泌酶酶的抑制剂，并且在β-分泌酶酶涉及的疾病的治疗中非常有用，例如阿尔茨海默病。本发明还涉及包含这些化合物的制药组合物以及在β-分泌酶酶涉及的这种疾病的治疗中使用这些化合物和组合物。
• SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  申请人：GLOBAL BLOOD THERAPEUTICS, INC.

  公开号：US20160039801A1

  公开（公告）日：2016-02-11

  Provided are cycloalkyl- and cycloalkenyl-substituted benzaldehydes and heteroaldehydes of formula (I) that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions containing the modulators, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供的是公式(I)的环烷基和环烯基取代的苯甲醛和杂原子醛，它们作为血红蛋白的别构调节剂，以及它们的制备方法和中间体、含有调节剂的制药组合物，以及用于治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病的方法。
• Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation
  申请人：Global Blood Therapeutics, Inc.

  公开号：US10100043B2

  公开（公告）日：2018-10-16

  Provided are cycloalkyl- and cycloalkenyl-substituted benzaldehydes and heteroaldehydes of formula (I) that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions containing the modulators, and methods for their use in treating disorders mediated by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  本发明提供了可作为血红蛋白异构调节剂的式 (I) 环烷基和环烯基取代的苯甲醛和杂醛、制备它们的方法和中间体、含有这些调节剂的药物组合物，以及将它们用于治疗由血红蛋白介导的疾病和可从增加组织含氧量中获益的疾病的方法。