3,4-dimethyl-6-isopropyl-5,6-dihydro-2H-pyran-2-one | 1101168-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 3,4-dimethyl-6-isopropyl-5,6-dihydro-2H-pyran-2-one
• 英文别名: 4,5-Dimethyl-2-propan-2-yl-2,3-dihydropyran-6-one
• CAS: 1101168-95-9
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: IBDZQNIKRITBNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,5-dimethyl-hepta-5,6-dien-3-ol 、 一氧化碳 在 2,4,6-三甲基吡啶 、 十二羰基三钌 作用下， 100.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 以58%的产率得到3,4-dimethyl-6-isopropyl-5,6-dihydro-2H-pyran-2-one
  参考文献：
  名称：

  Practical Ruthenium-Catalyzed Cyclocarbonylation of Allenyl Alcohols in 2,4,6-Collidine Leading to α,β-Unsaturated Lactones: Concise Stereoselective Synthesis of (+)-Isomintlactone

  摘要：

  We have found that ruthenium-catalyzed cyclocarbonylation of allenyl alcohols in 2,4,6-collidine under atmospheric pressure of carbon monoxide smoothly proceeds to afford alpha,beta-unsaturated five- and six-membered lactones in moderate to good yields. Furthermore, we have completed a highly stereoselective synthesis of (+)-isomintlactone by the cyclocarbonylation of allenyl alcohol using 2,4,6-collidine.

  DOI：

  10.1021/jo8025127

文献信息

• RAS INHIBITORS AND USES THEREOF
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US20160046661A1

  公开（公告）日：2016-02-18

  Described herein are compounds of Formulae (I)-(II), and pharmaceutically acceptable salts, and pharmaceutical compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating or preventing proliferative diseases such as cancers (e.g., lung cancer, large bowel cancer, pancreas cancer, biliary tract cancer, or endometrial cancer), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases in a subject.

  本文描述了式（I）-（II）的化合物，以及其药学上可接受的盐和制药组合物。还提供了涉及创新化合物或组合物的方法和工具包，用于治疗或预防受试者的增殖性疾病，如癌症（例如肺癌，大肠癌，胰腺癌，胆道癌或子宫内膜癌），良性肿瘤，血管生成，炎症性疾病，自身炎症性疾病和自身免疫性疾病。
• HOST TARGETED INHIBITORS OF DENGUE VIRUS AND OTHER VIRUSES
  申请人：President and Fellows of Harvard College

  公开号：US20150166532A1

  公开（公告）日：2015-06-18

  Novel antiviral compounds of Formulae (I)-(III) are provided: (I) (II) (III) The inventive compounds, pharmaceutical compositions thereof, and kits including the inventive compounds are useful for the prevention and treatment of infectious diseases caused by viruses, for example, by Flaviviridae virus (e.g., Dengue virus (DENY)), Kunjin virus, Japanese encephalitis virus, vesicular stomatitis virus (VSV), herpes simplex virus 1 (HSV-1), human cytomegalovirus (HCMV), poliovirus, Junin virus, Ebola virus, Marburg virus (MARV), Lassa fever virus (LASV), Venezuelan equine encephalitis virus (VEEV), or Rift Valley Fever virus (RVFV).
• US9879003B2
  申请人：——

  公开号：US9879003B2

  公开（公告）日：2018-01-30
• Practical Ruthenium-Catalyzed Cyclocarbonylation of Allenyl Alcohols in 2,4,6-Collidine Leading to α,β-Unsaturated Lactones: Concise Stereoselective Synthesis of (+)-Isomintlactone
  作者：Masayoshi Tsubuki、Kazunori Takahashi、Toshio Honda

  DOI：10.1021/jo8025127

  日期：2009.2.6

  We have found that ruthenium-catalyzed cyclocarbonylation of allenyl alcohols in 2,4,6-collidine under atmospheric pressure of carbon monoxide smoothly proceeds to afford alpha,beta-unsaturated five- and six-membered lactones in moderate to good yields. Furthermore, we have completed a highly stereoselective synthesis of (+)-isomintlactone by the cyclocarbonylation of allenyl alcohol using 2,4,6-collidine.