ethyl 2,2-difluoropentenoate | 1443500-42-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2,2-difluoropentenoate
• 英文别名: Ethyl 2,2-difluoropent-3-enoate；ethyl (E)-2,2-difluoropent-3-enoate
• CAS: 1443500-42-2
• 化学式: C₇H₁₀F₂O₂
• 分子量: 164.152
• InChiKey: CICASEUXYYNYQE-HWKANZROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2,2-difluoropentenoate 在 Ru-MACHO 、 氢气 、 sodium methylate 作用下， 以 甲醇 为溶剂， 35.0 ℃ 、1.0 MPa 条件下， 生成 2,2-Difluoropent-3-en-1-ol
  参考文献：
  名称：

  METHOD FOR PRODUCING BETA-FLUOROALCOHOL

  摘要：

  公开号：

  EP2650276B1

文献信息

• Practical Selective Hydrogenation of α-Fluorinated Esters with Bifunctional Pincer-Type Ruthenium(II) Catalysts Leading to Fluorinated Alcohols or Fluoral Hemiacetals
  作者：Takashi Otsuka、Akihiro Ishii、Pavel A. Dub、Takao Ikariya

  DOI：10.1021/ja403852e

  日期：2013.7.3

  Selective hydrogenation of fluorinated esters with pincer-type bifunctional catalysts RuHCl(CO)(dpa) 1a, trans-RuH2(CO)(dpa) 1b, and trans-RuCl2(CO)(dpa) 1c under mild conditions proceeds rapidly to give the corresponding fluorinated alcohols or hemiacetals in good to excellent yields. Under the optimized conditions, the hydrogenation of chiral (R)-2-fluoropropionate proceeds smoothly to give the corresponding

  用钳型双功能催化剂 RuHCl(CO)(dpa) 1a、反式-RuH2(CO)(dpa) 1b 和反式-RuCl2(CO)(dpa) 1c 在温和条件下选择性氢化氟化酯迅速进行，得到相应的氟化醇或半缩醛，收率良好至极好。在优化条件下，手性(R)-2-氟丙酸酯的加氢反应顺利进行，得到相应的手性醇，ee值没有出现严重下降。
• POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS
  申请人：HOECHST MARION ROUSSEL, INC.

  公开号：EP0863916A1

  公开（公告）日：1998-09-16
• PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1012165A1

  公开（公告）日：2000-06-28
• Method For Producing Beta-Fluoroalcohol
  申请人：Ishii Akihiro

  公开号：US20130303774A1

  公开（公告）日：2013-11-14

  A production method of a β-fluoroalcohol includes performing a reaction of an α-fluoroester with hydrogen gas (H 2 ) in the presence of a specific ruthenium complex (i.e. a ruthenium complex of the general formula [2], preferably a ruthenium complex of the general formula [4]). This production method can employ a suitable hydrogen pressure of 1 MPa or less by the use of such a specific ruthenium complex and does not require a high-pressure gas production facility when put in industrial practice. In addition, this production method can remarkably reduce the amount of catalyst used therein (to e.g. a substrate/catalyst ratio of 20,000) in comparison to the substrate/catalyst ratio conventional reduction of α-fluoroalcohol. It is possible by these reduction in hydrogen pressure and catalyst amount to largely reduce the production cost of the β-fluoroalcohol.
• US5739354A
  申请人：——

  公开号：US5739354A

  公开（公告）日：1998-04-14