3-acetoxy-2-<4-bis(2-chloroethyl)aminophenyl>indene-1-one | 151558-62-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3-acetoxy-2-<4-bis(2-chloroethyl)aminophenyl>indene-1-one
• 英文别名: 3-acetoxy-2-<4-bis(2-chloroethyl)aminophenyl>inden-1-one；3-Acetoxy-2-(4-bis(2-chloroethyl)aminophenyl)inden-1-one；[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-oxoinden-1-yl] acetate
• CAS: 151558-62-2
• 化学式: C₂₁H₁₉Cl₂NO₃
• 分子量: 404.293
• InChiKey: KGOTVMXPVGABCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-acetoxy-2-<4-bis(2-chloroethyl)aminophenyl>indene-1-one 在 盐酸 作用下， 反应 0.33h， 生成 2-<4-bis(2-chloroethyl)aminophenyl>indane-1,3-dione
  参考文献：
  名称：

  Synthesis of potential antineoplastics by condensation of phthalic anhydride with 4-bis(2-chloroethyl)aminophenylacetic acid

  摘要：

  Indandione, its enol acetate, and the products of a parallel reaction - a mixture of isomeric acids E, Z-5, and phthalide - are formed in the reaction of substituted phenylacetic acid with phthalic anhydride in acetic anhydride and triethylamine. 2-Substituted indandione derivatives were obtained.

  DOI：

  10.1007/bf00863374
• 作为产物：
  描述：

  苯酐 、 (4-(二(2-氯乙基)氨基)苯基)乙酸 在 乙酸酐 、 三乙胺 作用下， 反应 0.5h， 以3%的产率得到Z-3-<4-bis(2-chloroethyl)aminobenzylidene>phthalide
  参考文献：
  名称：

  Synthesis of potential antineoplastics by condensation of phthalic anhydride with 4-bis(2-chloroethyl)aminophenylacetic acid

  摘要：

  Indandione, its enol acetate, and the products of a parallel reaction - a mixture of isomeric acids E, Z-5, and phthalide - are formed in the reaction of substituted phenylacetic acid with phthalic anhydride in acetic anhydride and triethylamine. 2-Substituted indandione derivatives were obtained.

  DOI：

  10.1007/bf00863374

文献信息

• Synthesis and antitumor activity of 2-arylindane-1,3-dione derivatives with an alkylating fragment
  作者：V. I. Nikulin、N. Yu. Lugovskaya、N. N. Sveshnikov、L. M. Pisarenko、R. F. D'yachkovskaya

  DOI：10.1007/bf02218986

  日期：1994.3
• Synthesis of potential antineoplastics by condensation of phthalic anhydride with 4-bis(2-chloroethyl)aminophenylacetic acid
  作者：L. M. Pisarenko、V. I. Nikulin、N. N. Sveshnikov

  DOI：10.1007/bf00863374

  日期：1992.11

  Indandione, its enol acetate, and the products of a parallel reaction - a mixture of isomeric acids E, Z-5, and phthalide - are formed in the reaction of substituted phenylacetic acid with phthalic anhydride in acetic anhydride and triethylamine. 2-Substituted indandione derivatives were obtained.