3-Benzyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester | 459836-34-1

• 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: 3-Benzyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester
• 英文别名: ethyl 3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 459836-34-1
• 化学式: C₁₅H₁₉NO₃
• 分子量: 261.321
• InChiKey: QGBUPYGFFHWGOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Benzyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester 在 甲基锂 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到3-Benzyloxy-1,2,3,6-tetrahydro-pyridine
  参考文献：
  名称：

  A 3,4-Epoxypiperidine structure as a novel and simple DNA-cleavage unit

  摘要：

  Based on the 4-hydroxy-1-azabicyclo[3.1.0]hexane structure of azinomycin, a 3,4-epoxypiperidine structure was designed as a novel and simple alkylating molecular unit, and some 3,4-epoxypiperidine derivatives were found to show DNA-cleavage activity, the structural requirements for which were revealed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00085-9
• 作为产物：
  描述：

  溴甲苯 、 ethyl 3-hydroxy-1,2,3,6-tetrahydropiperidine-1-carboxylate 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到3-Benzyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  A 3,4-Epoxypiperidine structure as a novel and simple DNA-cleavage unit

  摘要：

  Based on the 4-hydroxy-1-azabicyclo[3.1.0]hexane structure of azinomycin, a 3,4-epoxypiperidine structure was designed as a novel and simple alkylating molecular unit, and some 3,4-epoxypiperidine derivatives were found to show DNA-cleavage activity, the structural requirements for which were revealed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00085-9

文献信息

• A 3,4-Epoxypiperidine structure as a novel and simple DNA-cleavage unit
  作者：Kazuyuki Miyashita、Myunji Park、Sayako Adachi、Sayori Seki、Satoshi Obika、Takeshi Imanishi

  DOI：10.1016/s0960-894x(02)00085-9

  日期：2002.4

  Based on the 4-hydroxy-1-azabicyclo[3.1.0]hexane structure of azinomycin, a 3,4-epoxypiperidine structure was designed as a novel and simple alkylating molecular unit, and some 3,4-epoxypiperidine derivatives were found to show DNA-cleavage activity, the structural requirements for which were revealed. (C) 2002 Elsevier Science Ltd. All rights reserved.