Methyl β-tert-butyl-5-chloro-2-nitrohippurate | 167690-10-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl β-tert-butyl-5-chloro-2-nitrohippurate
• 英文别名: Methyl 2-[tert-butyl-(5-chloro-2-nitrobenzoyl)amino]acetate
• CAS: 167690-10-0
• 化学式: C₁₄H₁₇ClN₂O₅
• 分子量: 328.752
• InChiKey: HAUVMWVEPKPCFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  92.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl β-tert-butyl-5-chloro-2-nitrohippurate 在 bis-triphenylphosphine-palladium(II) chloride 、 platinum on activated charcoal copper(l) iodide 、 硫酸 、 氢气 、 溴 、 sodium acetate 、 三氯化铁 作用下， 以 四氢呋喃 、 乙醇 、 溶剂黄146 为溶剂， 40.0 ℃ 、344.73 kPa 条件下， 反应 56.34h， 生成 4-tert-Butyl-7-chloro-9-(2'-pyridyl)-1H-1,4-benzodiazepine-2,5-dione
  参考文献：
  名称：

  Palladium(II)-mediated coupling reactions of bromo- and iodo-1H-1,4-benzodiazepine-2,5-diones. A route to functionalized benzodiazepinediones

  摘要：

  A series of 7-, 8-, and 9-bromo- and iodo-1,4-benzodiazepine-2,5-diones have been prepared and examined as substrates for palladium(II)-mediated coupling reactions with alkenes, alkynes, arylstannanes, and heteroarylstannanes. The benzodiazepinediones 6a,e,g were prepared from the reaction of o-nitrobenzoyl chlorides 3a-c and methyl tert-butylglycinate followed by nitro reduction and cyclization. Regioselective halogenation gave 6c,d,f. Bromo- and iodobenzodiazepinediones 6c,d,f,g were then converted to alkenyl-, alkynyl-, aryl-, and heteroaryl-substituted benzodiazepinediones in moderate to good yield in the presence of palladium(II).

  DOI：

  10.1021/jo00123a016
• 作为产物：
  描述：

  5-氯-2-硝基苯甲酸 在 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 32.0h， 生成 Methyl β-tert-butyl-5-chloro-2-nitrohippurate
  参考文献：
  名称：

  Palladium(II)-mediated coupling reactions of bromo- and iodo-1H-1,4-benzodiazepine-2,5-diones. A route to functionalized benzodiazepinediones

  摘要：

  A series of 7-, 8-, and 9-bromo- and iodo-1,4-benzodiazepine-2,5-diones have been prepared and examined as substrates for palladium(II)-mediated coupling reactions with alkenes, alkynes, arylstannanes, and heteroarylstannanes. The benzodiazepinediones 6a,e,g were prepared from the reaction of o-nitrobenzoyl chlorides 3a-c and methyl tert-butylglycinate followed by nitro reduction and cyclization. Regioselective halogenation gave 6c,d,f. Bromo- and iodobenzodiazepinediones 6c,d,f,g were then converted to alkenyl-, alkynyl-, aryl-, and heteroaryl-substituted benzodiazepinediones in moderate to good yield in the presence of palladium(II).

  DOI：

  10.1021/jo00123a016

文献信息

• Methods for controlling undesirable plant species with benzodiazepine
  申请人：American Cyanamid Company

  公开号：US05438035A1

  公开（公告）日：1995-08-01

  There are provided methods for controlling undesirable plant species with benzodiazepine compounds of formulas I and II ##STR1## Further provided are herbicidal compositions comprising those compounds.

  提供了一种使用公式I和II的苯二氮卓类化合物控制不良植物物种的方法。还提供了包含这些化合物的除草剂组合物。
• US5438035A
  申请人：——

  公开号：US5438035A

  公开（公告）日：1995-08-01