tert-butyl N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]carbamate | 308243-41-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]carbamate
• CAS: 308243-41-6
• 化学式: C₁₇H₁₇ClN₂O₃
• 分子量: 332.787
• InChiKey: MOTSYJKHTPOJCS-UHFFFAOYSA-N

物化性质

• 沸点：
  456.4±45.0 °C(Predicted)
• 密度：
  1.271±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]carbamate 在 哌啶 、 盐酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-methyl 3-(7-chloro-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)propanoate
  参考文献：
  名称：

  Relating the Structure, Activity, and Physical Properties of Ultrashort-Acting Benzodiazepine Receptor Agonists

  摘要：

  The ultrashort-acting benzodiazepine (USA BZD) agonists reported previously have been structurally modified to improve aqueous solubility. Lactam-to-amidine modifications, replacement of the C5-haloaryl ring, and annulation of heterocycles are presented. These analogues retain BZD receptor potency and full agonism profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00513-9
• 作为产物：
  描述：

  4-氯-(N-Boc)苯胺 在 manganese(IV) oxide 、 叔丁基锂 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 tert-butyl N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]carbamate
  参考文献：
  名称：

  Relating the Structure, Activity, and Physical Properties of Ultrashort-Acting Benzodiazepine Receptor Agonists

  摘要：

  The ultrashort-acting benzodiazepine (USA BZD) agonists reported previously have been structurally modified to improve aqueous solubility. Lactam-to-amidine modifications, replacement of the C5-haloaryl ring, and annulation of heterocycles are presented. These analogues retain BZD receptor potency and full agonism profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00513-9

文献信息

• Relating the Structure, Activity, and Physical Properties of Ultrashort-Acting Benzodiazepine Receptor Agonists
  作者：Gregory J. Pacofsky、Jeffrey A. Stafford、Richard F. Cox、Jill R. Cowan、George F. Dorsey、Stephen S. Gonzales、Istvan Kaldor、George W. Koszalka、George G. Lovell、Maggie S. McIntyre、Jeffrey H. Tidwell、Dan Todd、Graham Whitesell、Robert P. Wiard、Paul L. Feldman

  DOI：10.1016/s0960-894x(02)00513-9

  日期：2002.11

  The ultrashort-acting benzodiazepine (USA BZD) agonists reported previously have been structurally modified to improve aqueous solubility. Lactam-to-amidine modifications, replacement of the C5-haloaryl ring, and annulation of heterocycles are presented. These analogues retain BZD receptor potency and full agonism profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.