methyl 5-(2,6,6-trimethylcyclohex-2-enyl)-3-keto-4-pentenoate | 860021-26-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 5-(2,6,6-trimethylcyclohex-2-enyl)-3-keto-4-pentenoate
• 英文别名: methyl (E)-3-oxo-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
• CAS: 860021-26-7
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: JMQDAJLNBLUWSG-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-(2,6,6-trimethylcyclohex-2-enyl)-3-keto-4-pentenoate 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 异丙醇 为溶剂， 反应 24.0h， 生成 4-chloro-6-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrimidin-2-amine
  参考文献：
  名称：

  Antileishmanial agents part-IV: synthesis and antileishmanial activity of novel terpenyl pyrimidines

  摘要：

  Some novel N- and O-substituted terpenyl pyrimidines 4 (a-j) have been synthesized and screened for in vitro antileishmanial activity profile in promastigote model. Some of the compounds exhibited 100% inhibition at 10 mu g ml(-1) concentration. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.004
• 作为产物：
  描述：

  alpha-ionone 、 碳酸二甲酯 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以72%的产率得到methyl 5-(2,6,6-trimethylcyclohex-2-enyl)-3-keto-4-pentenoate
  参考文献：
  名称：

  Antileishmanial agents part-IV: synthesis and antileishmanial activity of novel terpenyl pyrimidines

  摘要：

  Some novel N- and O-substituted terpenyl pyrimidines 4 (a-j) have been synthesized and screened for in vitro antileishmanial activity profile in promastigote model. Some of the compounds exhibited 100% inhibition at 10 mu g ml(-1) concentration. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.004

文献信息

• 10.1021/acs.orglett.4c01253
  作者：Wang, Jie、Zheng, Mingyue、Jia, Qianfa、Ren, Qiao、Wu, Jicheng

  DOI：10.1021/acs.orglett.4c01253

  日期：——

  A new strategy for facile access to multifunctionalized furans via N-heterocyclic carbene-catalyzed cross-coupling/cyclization of ynenones with aldehydes has been explored. This protocol features readily obtainable starting materials, mild and metal-free conditions, broad substrate scope, good functional group tolerance, excellent yields, and easy scale-up. Synthetic utility of the protocol has been

  探索了一种通过N-杂环卡宾催化炔酮与醛的交叉偶联/环化轻松获得多功能呋喃的新策略。该方案具有起始原料易得、条件温和、无金属、底物范围广、官能团耐受性好、产率优异、易于放大等特点。通过复杂底物的功能化和产品的后修饰，进一步证实了该协议的合成效用。
• Antileishmanial agents part-IV: synthesis and antileishmanial activity of novel terpenyl pyrimidines
  作者：Naveen Chandra、Ramesh、Ashutosh、Neena Goyal、S.N. Suryawanshi、Suman Gupta

  DOI：10.1016/j.ejmech.2005.01.004

  日期：2005.6

  Some novel N- and O-substituted terpenyl pyrimidines 4 (a-j) have been synthesized and screened for in vitro antileishmanial activity profile in promastigote model. Some of the compounds exhibited 100% inhibition at 10 mu g ml(-1) concentration. (c) 2005 Elsevier SAS. All rights reserved.