2-<4-bis(2-chloroethyl)aminophenyl>indane-1,3-dione | 128620-17-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-<4-bis(2-chloroethyl)aminophenyl>indane-1,3-dione
• 英文别名: 2-(4-Bis(2-chloroethyl)aminophenyl)indane-1,3-dione；2-[4-[bis(2-chloroethyl)amino]phenyl]indene-1,3-dione
• CAS: 128620-17-7
• 化学式: C₁₉H₁₇Cl₂NO₂
• 分子量: 362.255
• InChiKey: UTNQEAUJCDXTGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-<4-bis(2-chloroethyl)aminophenyl>indane-1,3-dione 在 氧气 作用下， 反应 720.0h， 以100%的产率得到2,2'-bis(<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：

  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

文献信息

• 2-[4-Bis(2-chloroethyl)aminophenyl]indane-1,3-dione and its dehydrodimer
  作者：V. I. Nikulin、L. M. Pisarenko

  DOI：10.1007/bf00960368

  日期：1990.4
• NIKULIN, V. I.;PISARENKO, L. M., IZV. AN CCCP. CEP. XIM.,(1990) N, S. 943-944
  作者：NIKULIN, V. I.、PISARENKO, L. M.

  DOI：——

  日期：——
• 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.
• 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