1-Formyl-1-(trifluoromethyl)cyclohexane | 371917-29-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1-Formyl-1-(trifluoromethyl)cyclohexane
• 英文别名: 1-(Trifluoromethyl)cyclohexane-1-carbaldehyde；1-(trifluoromethyl)cyclohexane-1-carbaldehyde
• CAS: 371917-29-2
• 化学式: C₈H₁₁F₃O
• 分子量: 180.17
• InChiKey: LMEVIQMZZBYVCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Formyl-1-(trifluoromethyl)cyclohexane 在 sulfur tetrafluoride 作用下， 反应 48.0h， 以61%的产率得到1-Difluoromethyl-1-(trifluoromethyl)cyclohexane
  参考文献：
  名称：

  Routes from 1,1-cycloalkanedicarboxylic acids to geminal bis(polyfluoromethyl) substituted carbocycles

  摘要：

  1-Fluoroformyl-1-1(trifluoromethyl)cycloalkanes (1), prepared by treatment of 1,1-cycloalkane-dicarboxylic acids with SF4, were efficiently reduced to 1-hydroxymethyl-1-(trifluoromethyl)-cycloalkanes (2). Routes for the conversion of alcohols 2 to 1-methyl-1-(trifluoromethyl) cycloalkanes (4), 1-fluoromethyl-1-(trifluoromethyl)cycloalkanes (6) and 1-difluoromethyl-1-(trifluoromethyl)cycloalkanes (8), via iodides 3, triflates 5 and aldehydes 7, respectively, were investigated. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00353-0
• 作为产物：
  描述：

  1-(三氟甲基)环己烷羰基氟化物 在 吡啶 、 chromium(VI) oxide 、 lithium aluminium tetrahydride 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 50.0h， 生成 1-Formyl-1-(trifluoromethyl)cyclohexane
  参考文献：
  名称：

  Routes from 1,1-cycloalkanedicarboxylic acids to geminal bis(polyfluoromethyl) substituted carbocycles

  摘要：

  1-Fluoroformyl-1-1(trifluoromethyl)cycloalkanes (1), prepared by treatment of 1,1-cycloalkane-dicarboxylic acids with SF4, were efficiently reduced to 1-hydroxymethyl-1-(trifluoromethyl)-cycloalkanes (2). Routes for the conversion of alcohols 2 to 1-methyl-1-(trifluoromethyl) cycloalkanes (4), 1-fluoromethyl-1-(trifluoromethyl)cycloalkanes (6) and 1-difluoromethyl-1-(trifluoromethyl)cycloalkanes (8), via iodides 3, triflates 5 and aldehydes 7, respectively, were investigated. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00353-0

文献信息

• [EN] DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA<br/>[FR] INHIBITEURS DE ROR-GAMMA À BASE DE DIHYDROPYRROLOPYRIDINE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2016061160A1

  公开（公告）日：2016-04-21

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORy. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了式（I）的新化合物：其药用盐以及药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含式（I）的新化合物的药物组合物，以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。
• [EN] INHIBITORS OF THE MENIN-MLL INTERACTION<br/>[FR] INHIBITEURS DE L'INTERACTION MÉNINE-MLL
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2017112768A1

  公开（公告）日：2017-06-29

  The present invention is directed to inhibitors of the interaction of menin with MLL and MLL fusion proteins, pharmaceutical compositions containing the same, and their use in the treatment of cancer and other diseases mediated by the menin-MLL interaction.

  本发明涉及抑制menin与MLL和MLL融合蛋白相互作用的抑制剂，含有这些抑制剂的药物组合物，以及它们在治疗由menin-MLL相互作用介导的癌症和其他疾病中的应用。
• DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP3207043A1

  公开（公告）日：2017-08-23
• MODULATORS OF ROR-GAMMA
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP3377482A1

  公开（公告）日：2018-09-26
• INHIBITORS OF THE MENIN-MLL INTERACTION
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP3394064A1

  公开（公告）日：2018-10-31