diethyl 1,4-dioxo-1,4-dihydro-2-naphthylaminomethylenemalonate | 13388-72-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: diethyl 1,4-dioxo-1,4-dihydro-2-naphthylaminomethylenemalonate
• 英文别名: Diethyl 2-[1,4-naphthoquinonyl]aminomethylene malonate；diethyl 2-[[(1,4-dioxonaphthalen-2-yl)amino]methylidene]propanedioate
• CAS: 13388-72-2
• 化学式: C₁₈H₁₇NO₆
• 分子量: 343.336
• InChiKey: HLJFYWBJAIHDLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 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：
  98.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 1,4-dioxo-1,4-dihydro-2-naphthylaminomethylenemalonate 以 various solvent(s) 为溶剂， 反应 7.0h， 以60%的产率得到ethyl 1H-1-aza-4,9,10-trioxoanthracene-3-carboxylate
  参考文献：
  名称：

  Synthesis of 2- and 4-Oxo-1H-1-azaanthracene-9,10-diones from 2-amino-1,4-naphthoquinone

  摘要：

  In spite of the poor nucleophilicity of its amino group, which is considered to have an ''amide like'' character, 2-amino-1,4-naphthoquinone reacts with beta-dielectrophiles to give 2-oxo- or 4-oxo-1H-1-azaanthracene-9,10-diones.

  DOI：

  10.1016/s0040-4020(01)81213-8
• 作为产物：
  描述：

  2-氨基-1,4-萘醌 、 乙氧基甲叉丙二酸二乙酯 以 三氟乙酸 为溶剂， 反应 0.33h， 以90%的产率得到diethyl 1,4-dioxo-1,4-dihydro-2-naphthylaminomethylenemalonate
  参考文献：
  名称：

  Synthesis of 2- and 4-Oxo-1H-1-azaanthracene-9,10-diones from 2-amino-1,4-naphthoquinone

  摘要：

  In spite of the poor nucleophilicity of its amino group, which is considered to have an ''amide like'' character, 2-amino-1,4-naphthoquinone reacts with beta-dielectrophiles to give 2-oxo- or 4-oxo-1H-1-azaanthracene-9,10-diones.

  DOI：

  10.1016/s0040-4020(01)81213-8

文献信息

• Synthesis of 2- and 4-Oxo-1H-1-azaanthracene-9,10-diones from 2-amino-1,4-naphthoquinone
  作者：Alicia Marcos、Carmen Pedregal、Carmen Avendaño

  DOI：10.1016/s0040-4020(01)81213-8

  日期：1994.1

  In spite of the poor nucleophilicity of its amino group, which is considered to have an ''amide like'' character, 2-amino-1,4-naphthoquinone reacts with beta-dielectrophiles to give 2-oxo- or 4-oxo-1H-1-azaanthracene-9,10-diones.