乙基1-氨基-4,5-二(亚甲基)环庚烷羧酸酯 | 209258-64-0

• 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
• 中文名称: 乙基1-氨基-4,5-二(亚甲基)环庚烷羧酸酯
• 英文名称: Ethyl 1-amino-4,5-dimethylidenecycloheptane-1-carboxylate
• CAS: 209258-64-0
• 化学式: C₁₂H₁₉NO₂
• 分子量: 209.288
• InChiKey: RSXAOVBURVRIRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙基1-氨基-4,5-二(亚甲基)环庚烷羧酸酯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 121.0h， 生成 9-Acetylamino-5,13-dioxo-5a,6,7,8,9,10,11,12,12a,13-decahydro-5H-cyclohepta[b]anthracene-9-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of benzocycloheptene-based amino acid derivatives via a [4+2] cycloaddition reaction as a key step

  摘要：

  The seven-membered diene 5 is prepared from 2-butyne-1,4-diol using double orthoester Claisen rearrangement reaction as a key step. The Diels-Alder reaction of the diene 5 with various dienophiles followed by oxidation delivered the benzocycloheptene-based a-amino acid derivatives in very good yields. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00575-0
• 作为产物：
  描述：

  ethyl 4,5-dimethylene-1-isocyanocyclohepta-1-carboxylate 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以95%的产率得到乙基1-氨基-4,5-二(亚甲基)环庚烷羧酸酯
  参考文献：
  名称：

  Synthesis of benzocycloheptene-based amino acid derivatives via a [4+2] cycloaddition reaction as a key step

  摘要：

  The seven-membered diene 5 is prepared from 2-butyne-1,4-diol using double orthoester Claisen rearrangement reaction as a key step. The Diels-Alder reaction of the diene 5 with various dienophiles followed by oxidation delivered the benzocycloheptene-based a-amino acid derivatives in very good yields. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00575-0

文献信息

• Synthesis of constrained α-amino acid derivatives via Diels-Alder approach
  作者：Sambasivarao Kotha、Enugurthi Brahmachary、Nampally Sreenivasachary

  DOI：10.1016/s0040-4039(98)00562-0

  日期：1998.6

  Synthesis of new five and seven membered outer ring diene building blocks containing alpha-amino acid moiety and their usage in the preparation of the constrained amino acid derivatives is described. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Synthesis of benzocycloheptene-based amino acid derivatives via a [4+2] cycloaddition reaction as a key step
  作者：Sambasivarao Kotha、Nampally Sreenivasachary、Enugurthi Brahmachary

  DOI：10.1016/s0040-4020(01)00575-0

  日期：2001.7

  The seven-membered diene 5 is prepared from 2-butyne-1,4-diol using double orthoester Claisen rearrangement reaction as a key step. The Diels-Alder reaction of the diene 5 with various dienophiles followed by oxidation delivered the benzocycloheptene-based a-amino acid derivatives in very good yields. (C) 2001 Elsevier Science Ltd. All rights reserved.