1-Ethoxycarbonylmethylen-1,2,3,4-tetrahydroisochinolin | 5019-07-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-Ethoxycarbonylmethylen-1,2,3,4-tetrahydroisochinolin
• 英文别名: Ethyl (2Z)-3,4-dihydro-1(2H)-isoquinolinylideneacetate；ethyl (2Z)-2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetate
• CAS: 5019-07-8
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: BILLEFDKSPJMMN-XFXZXTDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  1-Ethoxycarbonylmethylen-1,2,3,4-tetrahydroisochinolin 在 氯甲酸乙酯 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 4-Oxo-3-phenyl-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Aza-annulation as a versatile approach to the synthesis of non-benzodiazepene compounds for the treatment of sleep disorders

  摘要：

  The aza-annulation of enamino ester substrates has been demonstrated as an efficient alternative to the syntheses of non-benzodiazepine sleep inducers. Enamino ester substrates derived from aryl, thiophene, and indole functionality were prepared from the corresponding ethyl amines by isothiocyanate formation followed by acid catalyzed cyclization. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10297-0
• 作为产物：
  描述：

  ethyl 3-oxo-3-(phenethylamino)propanoate 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 以10%的产率得到1-Ethoxycarbonylmethylen-1,2,3,4-tetrahydroisochinolin
  参考文献：
  名称：

  Aza-annulation as a versatile approach to the synthesis of non-benzodiazepene compounds for the treatment of sleep disorders

  摘要：

  The aza-annulation of enamino ester substrates has been demonstrated as an efficient alternative to the syntheses of non-benzodiazepine sleep inducers. Enamino ester substrates derived from aryl, thiophene, and indole functionality were prepared from the corresponding ethyl amines by isothiocyanate formation followed by acid catalyzed cyclization. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10297-0

文献信息

• ZBAIDA, S.;BREUER, E., J. ORG. CHEM., 1982, 47, N 6, 1073-1077
  作者：ZBAIDA, S.、BREUER, E.

  DOI：——

  日期：——
• AKIYAMA, YASUNOBU;ABE, JUNKO;TAKANO, TOKUKO;KAWASAKI, TOMOMI;SAKAMOTO, MA+, CHEM. AND PHARM. BULL., 1984, 32, N 7, 2821-2824
  作者：AKIYAMA, YASUNOBU、ABE, JUNKO、TAKANO, TOKUKO、KAWASAKI, TOMOMI、SAKAMOTO, MA+

  DOI：——

  日期：——
• BREUER E.; ZBAIDA S.; PESSO J.; RONEN-BRAUNSTEIN I., TETRAHEDRON <TETR-AB>, 1977, 33, NO 10, 1145-1148
  作者：BREUER E.、 ZBAIDA S.、 PESSO J.、 RONEN-BRAUNSTEIN I.

  DOI：——

  日期：——
• Aza-annulation as a versatile approach to the synthesis of non-benzodiazepene compounds for the treatment of sleep disorders
  作者：Petr Benovsky、John R Stille

  DOI：10.1016/s0040-4039(97)10297-0

  日期：1997.12

  The aza-annulation of enamino ester substrates has been demonstrated as an efficient alternative to the syntheses of non-benzodiazepine sleep inducers. Enamino ester substrates derived from aryl, thiophene, and indole functionality were prepared from the corresponding ethyl amines by isothiocyanate formation followed by acid catalyzed cyclization. (C) 1997 Elsevier Science Ltd.