Cycloheptanone, 2,7-bis[(4-chlorophenyl)methylene]- | 70552-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cycloheptanone, 2,7-bis[(4-chlorophenyl)methylene]-
• 英文别名: 2,7-bis[(4-chlorophenyl)methylidene]cycloheptan-1-one
• CAS: 70552-81-7
• 化学式: C₂₁H₁₈Cl₂O
• 分子量: 357.279
• InChiKey: UCSHRMNXAAOYQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Cycloheptanone, 2,7-bis[(4-chlorophenyl)methylene]- 在 溴 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 2,7-Bis-[(4-chloro-phenyl)-diethylamino-methyl]-2,7-bis-diethylamino-cycloheptanone
  参考文献：
  名称：

  Kabli, R. A.; Kaddah, A. M.; Khalil, A. M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 152 - 156

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯苯甲醛 、 环庚酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以28%的产率得到Cycloheptanone, 2,7-bis[(4-chlorophenyl)methylene]-
  参考文献：
  名称：

  Kabli, R. A.; Kaddah, A. M.; Khalil, A. M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 152 - 156

  摘要：

  DOI：

文献信息

• An efficient synthesis of benzylidene-2-alkoxy-4-aryl-2,3-cycloalkenopyridine-3-carbonitrile derivatives
  作者：Mustafa R. Albayati、Amr H. Moustafa、Antar A. Abdelhamed

  DOI：10.1080/00397911.2019.1633672

  日期：2019.10.2

  Abstract An efficient procedure for the synthesis of a novel class of benzylidene-2-alkoxy-4-aryl-6,7-dihydro-5H-cyclopenta[b]pyridine-, -5,6,7,8-tetrahydroquinoline and/or -6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile was introduced through the one-pot multi-component reaction of cyclopentanone, cyclohexanone, and/or cycloheptanone with different aromatic aldehydes and malononitrile

  摘要 合成一类新型苯亚甲基-2-烷氧基-4-芳基-6,7-二氢-5H-环戊[b]吡啶-、-5,6,7,8-四氢喹啉和/或-6,7,8,9-四氢-5H-环庚[b]吡啶-3-甲腈是通过环戊酮、环己酮和/或环庚酮与不同芳香醛和丙二腈的一锅多组分反应引入的。同样的产品也通过经典路线通过二苄基环戊酮、环己酮和/或环庚酮衍生物与丙二腈的双组分反应生产。该反应是使用醇钠溶液作为催化剂和试剂实现的。图形概要
• Synthesis, molecular modeling and bio-evaluation of cycloalkyl fused 2-aminopyrimidines as antitubercular and antidiabetic agents
  作者：Nimisha Singh、Sarvesh Kumar Pandey、Namrata Anand、Richa Dwivedi、Shyam Singh、Sudhir Kumar Sinha、Vinita Chaturvedi、Natasa Jaiswal、Arvind Kumar Srivastava、Priyanka Shah、M. Imran Siddiqui、Rama Pati Tripathi

  DOI：10.1016/j.bmcl.2011.06.040

  日期：2011.8

  An economical and efficient one step synthesis of a series of 8-(arylidene)-4-(aryl)-5,6,7,8-tetrahydroquinazolin-2-ylamines and 9-(arylidene)-4-(aryl)-6,7,8,9-tetrahydro-5H-cycloheptapyrimidin-2-ylamines by the reaction of bis-benzylidene cycloalkanones and guanidine hydrochloride in presence of NaH has been developed. All the synthesized compounds were evaluated against Mycobacterium tuberculosis H(37)Rv strain and the a-glucosidase and glycogen phosphorylase enzymes. Few of the compounds have shown interesting in vitro activity with MIC up to 3.12 mu g/mL against M. tuberculosis and very good inhibition of a-glucosidase and glycogen phosphorylase enzymes. The most potent non toxic compound 40 exhibited about 58% ex vivo activity at MIC of 3.12 mu g/mL. The present study opens a new gate to synthesize antitubercular agents for diabetic TB patients. In silico docking studies indicate that mycobacterial dihydrofolate reductase is the possible target of these compounds. (C) 2011 Elsevier Ltd. All rights reserved.
• Kabli, R. A.; Kaddah, A. M.; Khalil, A. M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 152 - 156
  作者：Kabli, R. A.、Kaddah, A. M.、Khalil, A. M.、Khalaf, A. A.

  DOI：——

  日期：——