[[(4-Bromo-benzoylamino)-methyl]-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester | 172912-93-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [[(4-Bromo-benzoylamino)-methyl]-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester
• 英文别名: Methyl 2-[[(4-bromobenzoyl)amino]methyl-(4-methylphenyl)sulfonylamino]acetate
• CAS: 172912-93-5
• 化学式: C₁₈H₁₉BrN₂O₅S
• 分子量: 455.329
• InChiKey: LKFACOAVPYGACM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [[(4-Bromo-benzoylamino)-methyl]-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester 在 氨 作用下， 以 异丙醇 为溶剂， 以73%的产率得到4-Bromo-N-{[carbamoylmethyl-(toluene-4-sulfonyl)-amino]-methyl}-benzamide
  参考文献：
  名称：

  Chemical properties ofN-(amidomethy)- andN-(imidomethyl)glycine derivatives 2. Reactions at alkoxycarbonyl and carboxyl groups

  摘要：

  N-(Aroylaminomethyl)glycine amides were synthesized by reactions of N-(aroylnminomethyl)glycine esters with ammonia. Alkaline hydrolysis of N-(amidomethyl)glycine, N-(imidomethyl)glycine, and N-(amidomethyl)phenylalanine esters afforded the corresponding N-(amidomethyl)-alpha-amino acids. Reactions of the last-mentioned compounds with ethyl esters of glycine, alanine, and phenylalanine in the presence of dicyclohexylcarbodiimide yielded dipeptides containing N-amidomethyl substituents.

  DOI：

  10.1007/bf01431807
• 作为产物：
  描述：

  对甲苯磺酰氯 、 {[(4-Bromo-benzoylamino)-methyl]-amino}-acetic acid methyl ester; hydrochloride 在 吡啶 作用下， 以75%的产率得到[[(4-Bromo-benzoylamino)-methyl]-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester
  参考文献：
  名称：

  Chemical properties ofN-(amidomethyl)- andN-(imidomethyl)glycine derivatives

  摘要：

  N-Nitroso N-sulfonyl, and N-acyl derivatives of N-(amidomethyl)- and N-(imidomethyl)glycine esters have been synthesized by the reactions of these esters with HNO2 or with sulfonylating and acylating reagents.

  DOI：

  10.1007/bf00700898