7-chloroheptanoylcyclohexanone-2 | 324009-66-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-chloroheptanoylcyclohexanone-2
• 英文别名: 2-(7-Chloroheptanoyl)cyclohexan-1-one；2-(7-chloroheptanoyl)cyclohexan-1-one
• CAS: 324009-66-7
• 化学式: C₁₃H₂₁ClO₂
• 分子量: 244.762
• InChiKey: NMHWVNXDMYDGHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-chloroheptanoylcyclohexanone-2 在 氨 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 44.0h， 生成 N¹-[7-(2-oxocyclohexyl)-7-oxoheptyl]cytosine
  参考文献：
  名称：

  Polymethylene Derivatives of Nucleic Bases with  -Functional Groups. III.¹N-[7-(2-Oxocyclohexyl)-7-oxoheptyl]-Substituted Pyrimidines

  摘要：

  New polymethylene derivatives of nucleic bases containing a beta-dioxo function at the omega-position were synthesized by alkylation of uracil, thymine, and cytosine with 1-(7-chloroheptanoyl)cyclohexan-2-one, and their physicochemical properties were studied.

  DOI：

  10.1023/b:rubi.0000043786.12780.8a
• 作为产物：
  描述：

  1-吗啉基-1-环己烯 、 7-chloroheptanoyl chloride 在 三乙胺 、 硫酸 作用下， 以 氯仿 为溶剂， 生成 7-chloroheptanoylcyclohexanone-2
  参考文献：
  名称：

  [具有ω-官能团的核酸碱基的多亚甲基衍生物：VII。N-（2-氧代环己基）-ω-氧代烷基取代的嘌呤和嘧啶系列的细胞毒性]

  摘要：

  通过在尿嘧啶，胸腺嘧啶，胞嘧啶，次黄嘌呤，腺嘌呤和N（2）-异丁酰基鸟嘌呤与2-ω-氯代-醛基-卡诺基）环己酮的烷基化反应中获得在ω-位具有β-二酮功能的核酸碱基的新的多亚甲基衍生物。研究了合成化合物的理化特性及其对K562和HCT116肿瘤细胞系的影响。

  DOI：

  10.1134/s1068162009010105

文献信息

• Polymethylene Derivatives of Nucleic Bases with ω-Functional Groups: IV. [7-(2-Oxocyclohexyl)-7-oxoheptyl]purines
  作者：A. M. Kritzyn、J. Vepsalainen、V. V. Komissarov

  DOI：10.1007/s11171-005-0035-3

  日期：2005.5

  New polymethylene nucleoside analogues with a β-dioxo function in the ω-position of their hydro-carbon chain, [7-(2-oxocyclohexyl)-7-oxoheptyl]purines, were synthesized, and their physicochemical properties were studied.

  合成了在烃链的ω位具有β-二氧代功能的新型多亚甲基核苷类似物[7-(2-氧代环己基)-7-氧代庚基]嘌呤，并研究了其理化性质。
• Polymethylene Derivatives of Nucleic Bases with  -Functional Groups. III.¹N-[7-(2-Oxocyclohexyl)-7-oxoheptyl]-Substituted Pyrimidines
  作者：A. M. Kritzyn、V. V. Komissarov

  DOI：10.1023/b:rubi.0000043786.12780.8a

  日期：2004.9

  New polymethylene derivatives of nucleic bases containing a beta-dioxo function at the omega-position were synthesized by alkylation of uracil, thymine, and cytosine with 1-(7-chloroheptanoyl)cyclohexan-2-one, and their physicochemical properties were studied.
• Polymethylene derivatives of nucleic bases with ω-functional groups: VII. Cytotoxicity in the series of N-(2-oxocyclohexyl)-ω-oxoalkyl-substituted purines and pyrimidines
  作者：V. V. Komissarov、G. M. Volgareva、Ya. S. Ol’shanskaya、M. E. Chernyshova、L. E. Zavalishina、G. A. Frank、A. A. Shtil’、A. M. Kritzyn

  DOI：10.1134/s1068162009010105

  日期：2009.1

  New polymethylene derivatives of nucleic bases with a beta-diketo function in the omega-position were obtained by alkylation of uracil, thymine, cytosine, hypoxanthine, adenine, and N(2)-isobutyryl guanine with 2-omega-chloroal-kanoyl)cyclohexanones. The physical and chemical characteristics of the compounds synthesized and their effect on the K562 and HCT116 tumor cell lines were studied.

  通过在尿嘧啶，胸腺嘧啶，胞嘧啶，次黄嘌呤，腺嘌呤和N（2）-异丁酰基鸟嘌呤与2-ω-氯代-醛基-卡诺基）环己酮的烷基化反应中获得在ω-位具有β-二酮功能的核酸碱基的新的多亚甲基衍生物。研究了合成化合物的理化特性及其对K562和HCT116肿瘤细胞系的影响。