3-vinylcycloheptan-1-one | 28399-94-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-vinylcycloheptan-1-one
• 英文别名: 3-Vinylcycloheptanon；3-Vinylcycloheptanone；3-ethenylcycloheptan-1-one
• CAS: 28399-94-2
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: BMMWZBBMGBYUTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  209.4±19.0 °C(Predicted)
• 密度：
  0.976±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  3-vinylcycloheptan-1-one 在 ruthenium trichloride 、 sodium tetrahydroborate 、 sodium periodate 、 三丁基膦 、 叠氮磷酸二苯酯 、 偶氮二甲酰二哌啶 、 水 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 甲苯 、 乙腈 为溶剂， 反应 22.5h， 生成
  参考文献：
  名称：

  WO2020060916A5

  摘要：

  公开号：

  WO2020060916A5
• 作为产物：
  描述：

  2-环庚烯-1-酮 在 盐酸 、 四甲基乙二胺 作用下， 反应 0.83h， 生成 3-vinylcycloheptan-1-one
  参考文献：
  名称：

  A facile synthesis of bicyclo[m.n.1]alkan-1-ols. Evidence for organosamarium intermediates in the samarium(II) iodide promoted intramolecular Barbier-type reaction

  摘要：

  Samarium(II) iodide (SmI2) has been successfully employed as a reductive coupling agent for the intramolecular Barbier-type synthesis of bicyclo[m.n.1]alkan-1-ols. Thus, a variety of 3-(omega-iodoalkyl)cycloalkanones, upon treatment with SmI2 and a catalytic quantity of iron complex in tetrahydrofuran (THF), provide the title compounds in excellent yields. The reaction is quite general for the construction of diverse bicyclic ring systems, including the highly strained bicyclo[2.1.1]hexan-1-ol. In addition to exploring the synthetic utility of this reaction, studies have been performed which provide insight on the mechanistic details of the SmI2-promoted intramolecular Barbier-type synthesis. Compelling evidence for the intermediacy of organosamarium species has thus been gathered.

  DOI：

  10.1021/jo00013a008

文献信息

• Arginase Inhibitors and Their Therapeutic Applications
  申请人：OncoArendi Therapeutics S.A.

  公开号：US20170319536A1

  公开（公告）日：2017-11-09

  Disclosed are small molecule therapeutic compounds that are potent inhibitors of arginase 1 and arginase 2 activity. Also disclosed are pharmaceutical compositions comprising the compounds, and methods for using the compounds for treating or preventing a disease or condition associated with arginase activity.

  揭示了一种小分子治疗化合物，它们是较强的精氨酸酶1和精氨酸酶2活性抑制剂。还揭示了包含这些化合物的药物组合物，以及使用这些化合物治疗或预防与精氨酸酶活性相关的疾病或状况的方法。
• Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture
  申请人：Rice Kenneth D.

  公开号：US20140080810A1

  公开（公告）日：2014-03-20

  The invention is directed to Compounds of Formula I: (I) and pharmaceutically acceptable salts or solvates thereof, as well as methods of treating using the compounds, methods for screening for inhibitor compounds and methods for identifying treatment regimens.

  本发明涉及化合物I式：（I）及其药学上可接受的盐或溶剂化物，以及使用该化合物进行治疗的方法，筛选抑制剂化合物的方法和确定治疗方案的方法。
• Arginase inhibitors and their therapeutic applications
  申请人：OncoArendi Therapeutics S.A.

  公开号：US10391077B2

  公开（公告）日：2019-08-27

  Disclosed are small molecule therapeutic compounds that are potent inhibitors of arginase 1 and arginase 2 activity. Also disclosed are pharmaceutical compositions comprising the compounds, and methods for using the compounds for treating or preventing a disease or condition associated with arginase activity.

  所公开的小分子治疗化合物是精氨酸酶 1 和精氨酸酶 2 活性的强效抑制剂。还公开了包含这些化合物的药物组合物，以及使用这些化合物治疗或预防与精氨酸酶活性相关的疾病或病症的方法。
• Photochemistry of bicyclo[6.1.0]nonan-3-one, bicyclo [6.1.0]nonan-4-one, and cyclooctanone
  作者：Sung Moon、Howard Bohm

  DOI：10.1021/jo00809a026

  日期：1971.5
• Photochemistry of bicyclo[6.1.0]nonanones
  作者：Jack K. Crandall、J. P. Arrington、Charles F. Mayer

  DOI：10.1021/jo00809a025

  日期：1971.5