1-trifluoromethyl-4-tert-butylcyclohexan-1-ol | 161361-14-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-trifluoromethyl-4-tert-butylcyclohexan-1-ol
• 英文别名: 4-tert-butyl-1-(trifluoromethyl)cyclohexanol；4-t-butyl-1-trifluoromethylcyclohexanol；4-(tert-Butyl)-1-(trifluoromethyl)cyclohexanol；4-tert-butyl-1-(trifluoromethyl)cyclohexan-1-ol
• CAS: 161361-14-4
• 化学式: C₁₁H₁₉F₃O
• 分子量: 224.266
• InChiKey: LELXUBDAVIEFCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-trifluoromethyl-4-tert-butylcyclohexan-1-ol 在 三乙基硼 、 potassium hydride 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 生成 trans-1-allyl-1-trifluoromethyl-4-t-butylcyclohexane
  参考文献：
  名称：

  Radical allylation of trifluoromethylated xanthates: use of DEAD for removing the allyltributyltin excess

  摘要：

  Radical allylation of trifluoromethylated xanthates allows the preparation of quaternary carbon centers bearing the trifluoromethyl group. An excess of the allyltributyltin reagent must be used in order to achieve satisfactory yields of the adducts. The excess of reagent could be conveniently removed by the use of diethylazodicarboxylate (DEAD). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02135-3
• 作为产物：
  描述：

  在 水 、 氯化铵 作用下， 以 乙醚 为溶剂， 生成 1-trifluoromethyl-4-tert-butylcyclohexan-1-ol
  参考文献：
  名称：

  Trifluoromethylation of Ketones and Aldehydes with Bu₃SnCF₃

  摘要：

  The (trifluoromethyl)stannane reagent, Bu3SnCF3, was found to react under CsF activation with ketones and aldehydes to the corresponding trifluoromethylated stannane ether intermediates at room temperature in high yield. Only a mildly acidic extraction (aqueous NH4Cl) is required to release the corresponding trifluoromethyl alcohol products. The protocol is compatible with acid-sensitive functional groups.

  DOI：

  10.1021/jo401099e

文献信息

• Convenient synthesis of fluorinated alkanes and cycloalkanes by hydrogenation of perfluoroalkylalkenes under ultrasound irradiation
  作者：Y. Carcenac、M. Tordeux、C. Wakselman、P. Diter

  DOI：10.1016/j.jfluchem.2005.07.006

  日期：2005.10

  Synthesis of several 1,4-disubstituted cyclohexanes, by hydrogenation of sterically hindered and electron poor perfluoroalkyl alkenes, was performed, at room temperature under hydrogen at atmospheric pressure. Hydrogenation was difficult to achieve without ultrasound whatever catalyst and pressure (from 1 to 120 bar) used. Coupling of ultrasonic irradiation with metallic catalysis dramatically increased

  在室温下，在大气压下，在室温下，通过氢化位阻和电子贫乏的全氟烷基烯烃，合成几种1,4-二取代的环己烷。如果不使用超声波，无论使用何种催化剂和压力（1至120 bar），都难以实现加氢。超声辐射与金属催化的耦合极大地提高了全氟烷基烯烃的氢化效率。
• Electrochemical trifluoromethylation of carbonyl compounds
  作者：S. Sibille、S. Mcharek、J. Perichon

  DOI：10.1016/0040-4020(89)80140-1

  日期：1989.1

  The electroreduction of CF3Br in DMF containing aldehydes or ketones, using a sacrificial zinc anode, affords the corresponding trifluoromethyl alcohols together with the unreactive organozinc species CF3ZnBr and (CF3)2Zn. The alcohols are obtained with good yields from aldehydes. With ketones the organozinc species are formed preferentially to the alcohols, but the addition of tetramethylethylene-diamine

  使用牺牲锌阳极在含有醛或酮的DMF中对CF 3 Br进行电还原，可得到相应的三氟甲醇以及未反应的有机锌物质CF 3 ZnBr和（CF 3）2 Zn。从醛以良好的产率获得醇。与酮相比，有机锌物质优先于醇形成，但是四甲基乙二胺的添加使醇以中等收率形成。
• METHOD OF TREATMENT USING SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS
  申请人：Array BioPharma, Inc.

  公开号：US20160228441A1

  公开（公告）日：2016-08-11

  Compounds useful in the synthesis of compounds for treating pain, cancer, inflammation, neurodegenerative disease or Typanosoma cruzi infection in a mammal.

  用于合成用于治疗哺乳动物疼痛，癌症，炎症，神经退行性疾病或克鲁茨菌感染的化合物。
• SIBILLE, S.;MCHAREK, S.;PERICHON, J., TETRAHEDRON, 45,(1989) N, C. 1423-1428
  作者：SIBILLE, S.、MCHAREK, S.、PERICHON, J.

  DOI：——

  日期：——
• AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20200347071A1

  公开（公告）日：2020-11-05

  The disclosure relates to compounds of formula I which are useful as kinase modulators including RIPK 1 modulation. The disclosure also provides methods of making and using the compounds for example in treatments related to necrosis or inflammation as well as other indications.