1-[4-(2-Hydroxy-ethyl)-pyridin-2-yl]-ethanone | 502509-14-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(2-Hydroxy-ethyl)-pyridin-2-yl]-ethanone
• 英文别名: 1-[4-(2-Hydroxyethyl)pyridin-2-yl]ethan-1-one；1-[4-(2-hydroxyethyl)pyridin-2-yl]ethanone
• CAS: 502509-14-0
• 化学式: C₉H₁₁NO₂
• mdl: MFCD18804183
• 分子量: 165.192
• InChiKey: GJGLFVMFYQRLIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(2-Hydroxy-ethyl)-pyridin-2-yl]-ethanone 在 正丙胺 、 sodium tetrahydroborate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.66h， 生成 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethyl-phenyl)-3-((S)-2-{2-[2-(1-hydroxy-ethyl)-pyridin-4-yl]-ethylamino}-1-methyl-ethyl)-1H-indol-5-yl]-2-methyl-propan-1-one
  参考文献：
  名称：

  Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists

  摘要：

  The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00751-5
• 作为产物：
  描述：

  1-[4-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]pyridin-2-yl]ethanone 生成 1-[4-(2-Hydroxy-ethyl)-pyridin-2-yl]-ethanone
  参考文献：
  名称：

  WO2008/11072

  摘要：

  公开号：

文献信息

• Selective androgen receptor modulators, analogs and derivatives thereof and uses thereof
  申请人：Dalton James T.

  公开号：US20090156614A1

  公开（公告）日：2009-06-18

  This invention provides new compounds and uses thereof in treating a variety of diseases or conditions in a subject, including, inter alia, prostate cancer, muscle wasting diseases and/or disorders or a bone-related diseases and/or disorders.
• WO2008/11072
  申请人：——

  公开号：——

  公开（公告）日：——
• Modification of the pyridine moiety of non-peptidyl indole GnRH receptor antagonists
  作者：Joseph P Simeone、Robert L Bugianesi、Mitree M Ponpipom、Yi Tien Yang、Jane-Ling Lo、Joel B Yudkovitz、Jisong Cui、George R Mount、Rena Ning Ren、Mellissa Creighton、An-Hua Mao、Stella H Vincent、Kang Cheng、Mark T Goulet

  DOI：10.1016/s0960-894x(02)00751-5

  日期：2002.11

  The synthesis of a number of indole GnRH antagonists is described. Oxidation of the pyridine ring nitrogen, combined with alkylation at the two position, led to a compound with an excellent in vitro activity profile as well as oral bioavailability in both rats and dogs. (C) 2002 Elsevier Science Ltd. All rights reserved.