6-Benzoylamino-3-tert-butoxycarbonylamino-2-methyl-benzoic acid 2-trimethylsilanyl-ethyl ester | 206441-82-9

• 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: 6-Benzoylamino-3-tert-butoxycarbonylamino-2-methyl-benzoic acid 2-trimethylsilanyl-ethyl ester
• CAS: 206441-82-9
• 化学式: C₂₅H₃₄N₂O₅Si
• 分子量: 470.641
• InChiKey: UCFBLZIEBNZDNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.09
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  93.73
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6-Benzoylamino-3-tert-butoxycarbonylamino-2-methyl-benzoic acid 2-trimethylsilanyl-ethyl ester 在 吡啶 、 盐酸 、 polymer-bound EDC 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 61.0h， 生成 [(S)-2-Methyl-1-(5-methyl-4-oxo-2-phenyl-4H-benzo[d][1,3]oxazin-6-ylcarbamoyl)-propyl]-carbamic acid benzyl ester
  参考文献：
  名称：

  Solution-phase parallel synthesis of a benzoxazinone library using complementary molecular reactivity and molecular recognition (CMR/R) purification technology

  摘要：

  A solution-phase synthesis of a benzoxazinone library is described. The five-step synthesis is accomplished using combinations of complementary molecular reactivity and molecular recognition (CMR/R) purification concepts, including reactant-sequestering resins, reagent-sequestering resins, sequestration-enabling-reagents, reaction-quenching resins, as well as the judicious use of polymeric reagents. The multi-step synthesis affords the desired benzoxazinone products in excellent purities and yields. This study demonstrates that multi-step library syntheses can be performed in solution-phase, and that utilization of CMR/R purification strategies as the sole method of purification can lead to products of high purity. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00132-x
• 作为产物：
  描述：

  1,1-dimethylethyl(1,4-dihydro-5-methyl-2,4-dioxo-2H-3,1-benzoxazin-6-yl)carbamate 在 吡啶 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 121.0h， 生成 6-Benzoylamino-3-tert-butoxycarbonylamino-2-methyl-benzoic acid 2-trimethylsilanyl-ethyl ester
  参考文献：
  名称：

  Solution-phase parallel synthesis of a benzoxazinone library using complementary molecular reactivity and molecular recognition (CMR/R) purification technology

  摘要：

  A solution-phase synthesis of a benzoxazinone library is described. The five-step synthesis is accomplished using combinations of complementary molecular reactivity and molecular recognition (CMR/R) purification concepts, including reactant-sequestering resins, reagent-sequestering resins, sequestration-enabling-reagents, reaction-quenching resins, as well as the judicious use of polymeric reagents. The multi-step synthesis affords the desired benzoxazinone products in excellent purities and yields. This study demonstrates that multi-step library syntheses can be performed in solution-phase, and that utilization of CMR/R purification strategies as the sole method of purification can lead to products of high purity. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00132-x