1-(2,2,3,3-四甲基环丙基)乙酮 | 60802-86-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,2,3,3-四甲基环丙基)乙酮
• 英文名称: 2,2,3,3-tetramethylcyclopropyl methyl ketone
• 英文别名: 1-(2,2,3,3-tetramethyl-cyclopropyl)-ethanone；1-(2,2,3,3-Tetramethylcyclopropyl)ethan-1-one；1-(2,2,3,3-tetramethylcyclopropyl)ethanone
• CAS: 60802-86-0
• 化学式: C₉H₁₆O
• mdl: MFCD19300882
• 分子量: 140.225
• InChiKey: FDQDDHZRPQVKAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 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：

  1-(2,2,3,3-四甲基环丙基)乙酮 在 (HF)n*Py 、 sodium chloride 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (Z)-1,7-Dichloro-4,6,6,7-tetramethyl-oct-4-en-3-one
  参考文献：
  名称：

  通过由氟化氢-吡啶-金属氟化物促进的环丙基甲氧基烯丙基甲醇的重排合成3-氟乙基环戊烯酮。

  摘要：

  3-氟乙基-2-环戊烯-1-酮在单一步骤中通过处理环丙基methoxyallenyl原醇与（HF）制备Ñ的.py金属氟化物。

  DOI：

  10.1016/s0040-4039(00)96300-7
• 作为产物：
  描述：

  2,2,3,3-四甲基环丙烷羧酸乙酯 在 氢氧化钾 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 5.0h， 生成 1-(2,2,3,3-四甲基环丙基)乙酮
  参考文献：
  名称：

  Experimental and Theoretical Investigations of Ring-Expansion in 1-Methylcyclopropylcarbene

  摘要：

  1-Methylcyclopropylcarbene, generated by photolysis of two isomeric hydrocarbon precursors, undergoes ring-expansion readily to give 1-methylcyclobutene. Experimentally, intramolecular carbon-hydrogen insertions are not observed. Trapping studies with TME demonstrates the formation of the expected cyclopropane adduct, and via a double-reciprocal analysis, the lifetime of 1-methylcyclopropylcarbene was determined to be 12 ns in 1,1,2-trichlorotrifluoroethane. Computational studies show that the barrier to ring-expansion is significantly smaller in 1-methylcyclopropylcarbene than in cyclopropylcarbene. The origin of the increased rate of ring-expansion is due to stabilization of the positive charge that occurs at the incipient tertiary carbon that is attached to the migrating carbon center.

  DOI：

  10.1021/jo9903454

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20160185780A1

  公开（公告）日：2016-06-30

  Compounds of Formula 0, Formula I and Formula II and methods of use as Janus kinase inhibitors are described herein.

  本文描述了化学式为0、化学式I和化学式II的化合物以及作为Janus激酶抑制剂的使用方法。
• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MAYERS SQUIBB COMPANY

  公开号：US20160199355A1

  公开（公告）日：2016-07-14

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合、包含这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Combinations of Hepatitis C Virus Inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160158200A1

  公开（公告）日：2016-06-09

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包含这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Synthesis of alkyl-?,?-dimethylcyclopropanemethanols and alkylcyclopropyl methyl ketones
  作者：A. P. Meshcheryakov、I. E. Dolgii

  DOI：10.1007/bf01131067

  日期：1961.3