2-(3-Benzyloxycarbonylamino-propionylamino)-benzoic acid ethyl ester | 55301-35-4

• 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: 2-(3-Benzyloxycarbonylamino-propionylamino)-benzoic acid ethyl ester
• 英文别名: Ethyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]benzoate
• CAS: 55301-35-4
• 化学式: C₂₀H₂₂N₂O₅
• 分子量: 370.405
• InChiKey: ANAVZZIBNNLCJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-Benzyloxycarbonylamino-propionylamino)-benzoic acid ethyl ester 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 甲醇 为溶剂， 生成 2-(3-Amino-propionylamino)-benzoic acid ethyl ester
  参考文献：
  名称：

  Noguchi,J. et al., Israel Journal of Chemistry, 1974, vol. 12, p. 87 - 101

  摘要：

  DOI：
• 作为产物：
  描述：

  N-CBZ-beta-丙氨酸 、 ethyl-o-aminobenzoate hydrochloride 生成 2-(3-Benzyloxycarbonylamino-propionylamino)-benzoic acid ethyl ester
  参考文献：
  名称：

  Noguchi,J. et al., Israel Journal of Chemistry, 1974, vol. 12, p. 87 - 101

  摘要：

  DOI：

文献信息

• Methods of synthesis for 9-substituted hypoxanthine derivatives
  申请人：Glasky J. Alvin

  公开号：US20050014943A1

  公开（公告）日：2005-01-20

  An improved method of synthesis of a 9-substituted hypoxanthine derivative comprises the steps of: (1) reacting aminocyanacetamide with triethyl orthoformate to form an imidoester derivative of aminocyanacetamide; (2) forming a compound having a reactive amino group on a hydrocarbyl moiety, the hydrocarbyl moiety being linked through an amide group to a physiologically active moiety or an esterified derivative of a physiologically active moiety including therein an esterified benzoyl group; (3) reacting the imidoester with the compound having the reactive amino group on the hydrocarbyl moiety to form a derivative of 5-aminoimidazole-4-carboxamide substituted at the 1-position with a hydrocarbyl moiety linked through an amide group to a physiologically active moiety including therein an optionally esterified benzoyl group; (4) forming the six-membered heterocyclic ring of the purine moiety of the hypoxanthine by reacting the derivative of 5-aminoimidazole-4-carboxamide formed in step (3) with triethyl orthoformate to form a 9-substituted hypoxanthine compound substituted at the 9-position with a hydrocarbyl moiety linked through an amide group to a physiologically active moiety including therein an optionally esterified benzoyl group; and (5) hydrolyzing the ester of the optionally esterified benzoyl group if present.

  一种改进的合成9-取代次黄嘌呤衍生物的方法，包括以下步骤：（1）将氨基氰乙酰胺与三乙基正甲酸酯反应，形成氨基氰乙酰胺的亚甲基酯衍生物；（2）形成一个具有在烃基残基上具有反应性氨基基团的化合物，该烃基残基通过酰胺基与生理活性残基或生理活性残基的酯化衍生物相连，其中包括酯化苯甲酰基团；（3）将亚甲基酯与具有在烃基残基上具有反应性氨基基团的化合物反应，形成5-氨基咪唑-4-羧酰胺的衍生物，其在1-位上取代了一个通过酰胺基与生理活性残基相连的烃基残基，其中包括可选的酯化苯甲酰基团；（4）通过将步骤（3）中形成的5-氨基咪唑-4-羧酰胺衍生物与三乙基正甲酸酯反应形成次黄嘌呤的嘌呤基团的六元杂环环，形成一个在9-位上取代了一个通过酰胺基与生理活性残基相连的烃基残基的9-取代次黄嘌呤化合物，其中包括可选的酯化苯甲酰基团；（5）水解可选的酯化苯甲酰基团的酯。
• METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES
  申请人：Neotherapeutics, Inc.

  公开号：EP1294722A2

  公开（公告）日：2003-03-26
• US6849735B1
  申请人：——

  公开号：US6849735B1

  公开（公告）日：2005-02-01
• [EN] IMPROVED METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES<br/>[FR] METHODES AMELIOREES DE SYNTHESE DE DERIVES D'HYPOXANTHINE 9-SUBSTITUES
  申请人：NEOTHERAPEUTICS INC

  公开号：WO2002000659A2

  公开（公告）日：2002-01-03

  An improved method of systhesis of a 9-substituted hypoxanthine derivative comprises the steps of: (1) reacting aminocyanacetamide with triethyl orthoformate to form an imidoester derivative of aminocyanacetamide; (2) forming a compound having a reactive amino group on a hydrocarbyl moiety, the hydrocarbyl moiety being linked through an amide group to a physiologically active moiety or an esterified derivative of a physiologically active moiety including therein an esterified benzoyl group; (3) reacting the imidoester with the compound having the reactive amino group on the hydrocarbyl moiety to form a derivative of 5-aminoimidazole-4-carboxamide substituted at the 1-position with a hydrocarbyl moiety linked through an amide group to a physiologically active moiety including therein an optionally esterified benzoyl group; (4) forming the six-membered heterocyclic ring of the purine moiety of the hypoxanthine by reacting the derivative of 5-aminoimidazole-4-carboxamide formed in step (3) with triethyl orthoformate to form a 9-substituted hypoxanthine compound substituted at the 9-position with a hydrocarbyl moiety linked through an amide group to a physiologically active moiety including therein an optionally esterified benzoyl group; and (5) hydrolyzing the ester of the optionally esterified group if present.
• Noguchi,J. et al., Israel Journal of Chemistry, 1974, vol. 12, p. 87 - 101
  作者：Noguchi,J. et al.

  DOI：——

  日期：——