1-环丙基-2-甲氧基乙胺盐酸盐 | 1095431-18-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-环丙基-2-甲氧基乙胺盐酸盐
• 英文名称: 1-cyclopropyl-2-methoxyethanamine hydrochloride
• 英文别名: 1-cyclopropyl-2-methoxyethanamine;hydrochloride
• CAS: 1095431-18-7
• 化学式: C₆H₁₃NO*ClH
• 分子量: 151.636
• InChiKey: XKHQIVZUNCFLJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-环丙基-2-甲氧基乙胺盐酸盐 在 sodium hexamethyldisilazane 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 正庚烷 、 二氯甲烷 、 乙腈 为溶剂， 反应 3.0h， 生成 5-chloro-1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-2(1H)-pyrazinone
  参考文献：
  名称：

  Development of an Efficient Synthesis of Two CRF Antagonists for the Treatment of Neurological Disorders

  摘要：

  BMS-764459 (1) and BMS-763534 (2) are CRF1 antagonists for the treatment of neurological disorders such as depression and anxiety. An efficient synthesis of 1 and 2 is described, which features an efficient palladium-catalyzed cyanation of a 5-chloropyrazinone where zinc acetate suppresses dehalogenation. This synthesis was applied to the preparation of > 5 kg of 1 and 2 for clinical studies.

  DOI：

  10.1021/op1001512
• 作为产物：
  描述：

  甲氧基乙腈 、 溴代环丙烷 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 以52%的产率得到1-环丙基-2-甲氧基乙胺盐酸盐
  参考文献：
  名称：

  Development of an Efficient Synthesis of Two CRF Antagonists for the Treatment of Neurological Disorders

  摘要：

  BMS-764459 (1) and BMS-763534 (2) are CRF1 antagonists for the treatment of neurological disorders such as depression and anxiety. An efficient synthesis of 1 and 2 is described, which features an efficient palladium-catalyzed cyanation of a 5-chloropyrazinone where zinc acetate suppresses dehalogenation. This synthesis was applied to the preparation of > 5 kg of 1 and 2 for clinical studies.

  DOI：

  10.1021/op1001512

文献信息

• PYRAZINONE MODULATOR OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY
  申请人：Bristol-Myers Squibb Company

  公开号：EP2303867A1

  公开（公告）日：2011-04-06
• [EN] PYRAZINONE MODULATOR OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY<br/>[FR] MODULATEUR PYRAZINONE DE L'ACTIVITÉ DE LA CORTICOLIBÉRINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2010014280A1

  公开（公告）日：2010-02-04

  The invention relates to the compound (S)~4»(l-cyclopropyl-2-methoxyethyl)- 6-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylatnino)-5-oxo-4,5-dihydropyrazine- 2-carbonitrile, pharmaceutical compositions of the compound, and methods of using the compound for the treatment of psychiatric disorders and neurological diseases including depression, anxiety related disorders, irritable bowel syndrome, addiction and negative aspects of drug and alcohol withdrawal, and other conditions associated with CRF.
• Development of an Efficient Synthesis of Two CRF Antagonists for the Treatment of Neurological Disorders
  作者：David K. Leahy、Jun Li、Justin B. Sausker、Jason Zhu、Monica A. Fitzgerald、Chiajen Lai、Frederic G. Buono、Alan Braem、Nuria de Mas、Zerene Manaloto、Ehrlic Lo、William Merkl、Bao-Ning Su、Qi Gao、Alicia T. Ng、Richard A. Hartz

  DOI：10.1021/op1001512

  日期：2010.9.17

  BMS-764459 (1) and BMS-763534 (2) are CRF1 antagonists for the treatment of neurological disorders such as depression and anxiety. An efficient synthesis of 1 and 2 is described, which features an efficient palladium-catalyzed cyanation of a 5-chloropyrazinone where zinc acetate suppresses dehalogenation. This synthesis was applied to the preparation of > 5 kg of 1 and 2 for clinical studies.