1,1,1-Trifluoro-6-methylheptan-2-ol | 100004-40-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: 1,1,1-Trifluoro-6-methylheptan-2-ol
• CAS: 100004-40-8
• 化学式: C₈H₁₅F₃O
• 分子量: 184.202
• InChiKey: SUUQZZMBEPGSMG-UHFFFAOYSA-N

物化性质

• 沸点：
  186.3±35.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• 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：

  1,1,1-Trifluoro-6-methylheptan-2-ol 、 硫酸二甲酯 在 sodium 作用下， 生成 1,1,1-三氟-2-甲氧基-6-甲基庚烷
  参考文献：
  名称：

  Turbanova, E. S.; Orlova, N. A.; Stepanova, N. P., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 5, p. 884 - 889

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,2-三氟乙醛 、 magnesium,2-methylpentane,bromide 以 乙醚 为溶剂， 生成 1,1,1-Trifluoro-6-methylheptan-2-ol
  参考文献：
  名称：

  Turbanova, E. S.; Orlova, N. A.; Stepanova, N. P., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 5, p. 884 - 889

  摘要：

  DOI：

文献信息

• [EN] ROR GAMMA (RORY) MODULATORS<br/>[FR] MODULATEURS DU ROR GAMMA (RORY)
  申请人：LEAD PHARMA CEL MODELS IP B V

  公开号：WO2015082533A1

  公开（公告）日：2015-06-11

  The present invention relates to compounds according to Formula I: Wherein: A11 - A14 are N or CR11, CR12, CR13, CR14, respectively, with the proviso that no more than two of the four positions A can be simultaneously N; R1 is C(1-6)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1 -3)alkyl, (di)C(1-6)alkylamino, (di)C(3-6)cycloalkylamino or (di)(C(3-6)cycloalkylC(1 -3)alkyl)amino, with all carbon atoms of alkyl groups optionally substituted with one or more F and all carbon atoms of cycloalkyl groups optionally substituted with one or more F or methyl; R2 and R3 are independently H, F, methyl, ethyl, hydroxy, methoxy or R2 and R3 together is carbonyl, all alkyl groups, if present, optionally being substituted with one or more F; R4 is H or C(1-6)alkyl; R5 is H, hydroxyethyl, methoxyethyl, C(1-6)alkyl, C(6-10)aryl, C(6-10)arylC(1-3)alkyl, C(1 -9)heteroaryl, C(1-9)heteroarylC(1-3)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1 -3)alkyl, C(2-5)heterocycloalkyl or C(2-5)heterocycloalkylC(1-3)alkyl, all groups optionally substituted with one or more F, CI, C(1-2)alkyl, C(1-2)alkoxy or cyano; the sulfonyl group with R1 is represented by one of R7, R8 or R9; the remaining R6-RH are independently H, halogen, C(1-3)alkoxy, (di)C(1-3)alkylamino or C(1-6)alkyl, all of the alkyl groups optionally being substituted with one or more F; and Ri5 and Ri6 are independently H, C(1-6)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1-3)alkyl, C(6-10)aryl, C(6-10)arylC(1-3)alkyl, C(1-9)heteroaryl, C(1-9)heteroarylC(1-3)alkyl, C(2-5)heterocycloalkyl or C(2-5)heterocycloalkylC(1-3)alkyl, all groups optionally substituted with one or more F, CI, C(1-2)alkyl, C(1-2)alkoxy or cyano. The compounds can be used as inhibitors of RORy and are useful for the treatment of RORy mediated diseases.

  本发明涉及符合以下式I的化合物：其中：A11 - A14分别为N或CR11，CR12，CR13，CR14，但四个位置A中不超过两个可以同时为N；R1为C(1-6)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，(双)C(1-6)烷基氨基，(双)C(3-6)环烷基氨基或(双)(C(3-6)环烷基C(1-3)烷基)氨基，烷基族的所有碳原子可选择性地被一个或多个F取代，环烷基族的所有碳原子可选择性地被一个或多个F或甲基取代；R2和R3独立地为H，F，甲基，乙基，羟基，甲氧基或R2和R3一起为羰基，所有烷基族（如果存在）可选择性地被一个或多个F取代；R4为H或C(1-6)烷基；R5为H，羟乙基，甲氧乙基，C(1-6)烷基，C(6-10)芳基，C(6-10)芳基C(1-3)烷基，C(1-9)杂环芳基，C(1-9)杂环芳基C(1-3)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，C(2-5)杂环烷基或C(2-5)杂环烷基C(1-3)烷基，所有基团可选择性地被一个或多个F，CI，C(1-2)烷基，C(1-2)烷氧基或氰取代；与R1相连的磺酰基由R7，R8或R9之一表示；其余的R6-RH独立地为H，卤素，C(1-3)烷氧基，(双)C(1-3)烷基氨基或C(1-6)烷基，所有烷基族可选择性地被一个或多个F取代；Ri5和Ri6独立地为H，C(1-6)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，C(6-10)芳基，C(6-10)芳基C(1-3)烷基，C(1-9)杂环芳基，C(1-9)杂环芳基C(1-3)烷基，C(2-5)杂环烷基或C(2-5)杂环烷基C(1-3)烷基，所有基团可选择性地被一个或多个F，CI，C(1-2)烷基，C(1-2)烷氧基或氰取代。这些化合物可用作RORγ的抑制剂，并且对于治疗RORγ介导的疾病是有用的。
• Ferrielectric liquid crystal compound
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP0937765A1

  公开（公告）日：1999-08-25

  A ferrielectric liquid crystal compound of the general formula (1),    wherein R is a linear alkyl group having 6 to 12 carbon atoms, either each of X and Y is a hydrogen atom or one of X and Y is a hydrogen atom and the other is a fluorine atom, m is an integer of 1 to 2, n is 1 and C* is an asymmetric carbon. The above liquid crystal compound shows a ferrielectric phase in a wide temperature range and exhibits a fast response in spite of its small spontaneous polarization, and it is therefore remarkably useful for an active-matrix liquid crystal display device.

  通式（1）的铁电液晶化合物、 其中 R 是具有 6 至 12 个碳原子的直链烷基，X 和 Y 各为氢原子，或 X 和 Y 中的一个为氢原子，另一个为氟原子，m 为 1 至 2 的整数，n 为 1，C* 为不对称碳。 上述液晶化合物在很宽的温度范围内呈现铁电相，尽管自发极化很小，但反应速度很快，因此非常适用于有源矩阵液晶显示设备。
• Optically active alcohol and process for the production thereof
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP0842915B1

  公开（公告）日：2002-03-27
• TURBANOVA, E. S.;ORLOVA, N. A.;STEPANOVA, N. P.;PETROV, A. A., ZH. ORGAN. XIMII, 1985, 21, N 5, 974-979
  作者：TURBANOVA, E. S.、ORLOVA, N. A.、STEPANOVA, N. P.、PETROV, A. A.

  DOI：——

  日期：——
• ROR GAMMA (RORY) MODULATORS
  申请人：Lead Pharma Cel Models IP B.V.

  公开号：EP3077372A1

  公开（公告）日：2016-10-12