2-乙基-1,2,3,4-四氢喹啉-4-醇 | 944115-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2-乙基-1,2,3,4-四氢喹啉-4-醇
• 英文名称: 2-Ethyl-1,2,3,4-tetrahydroquinolin-4-ol
• 英文别名: 2-ethyl-1,2,3,4-tetrahydroquinolin-4-ol
• CAS: 944115-45-1
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: MXTRMXZPAFKJOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙基-1,2,3,4-四氢喹啉-4-醇 在 三乙基硅烷 、 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以71%的产率得到2-乙基-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Discovery of an androgen receptor modulator pharmacophore based on 2-quinolinones

  摘要：

  A series of alkylamino-2-quinolin one compounds (3) was discovered as androgen receptor modulators based on an early linear tricyclic quinoline pharmacophore (1). The series demonstrated selective high binding affinity to androgen receptor and potent receptor modulating activities in the cotransfection assays. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.007
• 作为产物：
  描述：

  反式-2-戊烯酸 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 29.0h， 生成 2-乙基-1,2,3,4-四氢喹啉-4-醇
  参考文献：
  名称：

  Discovery of an androgen receptor modulator pharmacophore based on 2-quinolinones

  摘要：

  A series of alkylamino-2-quinolin one compounds (3) was discovered as androgen receptor modulators based on an early linear tricyclic quinoline pharmacophore (1). The series demonstrated selective high binding affinity to androgen receptor and potent receptor modulating activities in the cotransfection assays. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.007

文献信息

• Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19
  作者：Ke Li、Juxiang Wang、Kailin Wu、Daijun Zheng、Xiaojian Zhou、Wenyong Han、Nanwei Wan、Baodong Cui、Yongzheng Chen

  DOI：10.1039/c7ob00151g

  日期：——

  A cascade biocatalysis system containing asymmetric hydroxylation and diastereoselective oxidation was developed using Rhodococcus equi ZMU-LK19, which gave chiral 2-substituted-1,2,3,4-tetrahydroquinoline-4-ols (2) (up to 57% isolated yield, 99:1 dr, and >99%...

  使用马生红球菌ZMU-LK19开发了一种包含不对称羟基化和非对映选择性氧化的级联生物催化系统，该系统可得到手性2-取代-1,2,3,4-四氢喹啉-4-醇（2）（分离产率高达57％， 99：1博士，> 99％...
• Discovery of an androgen receptor modulator pharmacophore based on 2-quinolinones
  作者：Arjan van Oeveren、Barbara A. Pio、Christopher M. Tegley、Robert I. Higuchi、Min Wu、Todd K. Jones、Keith B. Marschke、Andrés Negro-Vilar、Lin Zhi

  DOI：10.1016/j.bmcl.2007.01.007

  日期：2007.3

  A series of alkylamino-2-quinolin one compounds (3) was discovered as androgen receptor modulators based on an early linear tricyclic quinoline pharmacophore (1). The series demonstrated selective high binding affinity to androgen receptor and potent receptor modulating activities in the cotransfection assays. (c) 2007 Elsevier Ltd. All rights reserved.