(1S,3S)-trans-3-ethylcyclohexanol | 69854-64-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3S)-trans-3-ethylcyclohexanol
• 英文别名: (1S,3S)-3-ethyl-cyclohexanol；(1S,3S)-3-ethylcyclohexan-1-ol
• CAS: 69854-64-4
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: UNIOXDKEUNVBAC-YUMQZZPRSA-N

物化性质

• 沸点：
  185.7±8.0 °C(Predicted)
• 密度：
  0.909±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 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：
  1

反应信息

• 作为产物：
  描述：

  3-ethylcyclohexanone 在 3-AcPyADH 乙醇 作用下， 生成 (1S,3S)-trans-3-ethylcyclohexanol
  参考文献：
  名称：

  Lemiere, Guy L.; Jaco, Jan; Merckx, Erik M., Bulletin des Societes Chimiques Belges, 1983, vol. 92, # 8, p. 747 - 752

  摘要：

  DOI：

文献信息

• TYK2 inhibitors and uses thereof
  申请人：Nimbus Lakshmi, Inc.

  公开号：US10570145B2

  公开（公告）日：2020-02-25

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

  本发明提供了用于抑制 TYK2 和治疗 TYK2 介导的疾病的化合物、其组合物和使用方法。
• Benzimidazole compounds and derivatives as EGFR inhibitors
  申请人：Boehringer Ingelheim International GmbH

  公开号：US11174245B2

  公开（公告）日：2021-11-16

  The present invention encompasses compounds of formula (I) (I), wherein the groups R1 to R5 have the meanings given in the claims and specification, their use as inhibitors of mutant EGFR, pharmaceutical compositions which contain compounds of this kind and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.

  本发明包括式(I)(I)化合物（其中基团R1至R5具有权利要求书和说明书中给出的含义）、它们作为突变型表皮生长因子受体抑制剂的用途、含有此类化合物的药物组合物以及它们作为药物/医疗用途的用途，特别是作为治疗和/或预防肿瘤疾病的制剂的用途。
• Osselaer, T. A. Van; Lemiere, G. L.; Lepoivre, J. A., Bulletin des Societes Chimiques Belges, 1980, vol. 89, # 2, p. 133 - 150
  作者：Osselaer, T. A. Van、Lemiere, G. L.、Lepoivre, J. A.、Alderweireldt, F. C.

  DOI：——

  日期：——
• Use of shift reagent with MTPA derivatives in19F NMR spectrocopy: IV—Determination of enantiomeric composition for a variety of secondary cycloalkanols. A survey
  作者：E. M. Merckx、J. A. Lepoivre、G. L. Lemière、F. C. Alderweireldt

  DOI：10.1002/omr.1270210609

  日期：1983.6

  AbstractChiral secondary cycloalkanols (monocyclic alcohols) are derivatized to the corresponding (R)‐α‐methoxy‐α‐trifluoromethyl‐α‐phenylacetic acid [(R)‐MTPA] esters and analysed by 19F NMR in the presence of tris(6,6,7,7,8,8,8‐heptafluoro‐2,2‐dimethyl‐3,5‐octanedionato) europium(III) [Eu(fod)3]. Using this method the enantiomeric composition can be measured for several cyclopentanols, cyclohexanols and cycloheptanols, with a variety of substitution patterns. It is shown that a mixture of four stereoisomeric cycloalkanols, such as cis and trans disubstituted alcohols, can be analysed simultaneously.
• FLASH SPINNING PROCESS AND PRODUCTS
  申请人：E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED

  公开号：EP0885318A1

  公开（公告）日：1998-12-23