3,3,4,4,4-五氟丁醛 | 239437-47-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3,3,4,4,4-五氟丁醛
• 英文名称: 3,3,4,4,4-pentafluorobutanal
• CAS: 239437-47-9
• 化学式: C₄H₃F₅O
• mdl: MFCD04969228
• 分子量: 162.059
• InChiKey: UNBXLINXSUCFBI-UHFFFAOYSA-N

物化性质

• 沸点：
  46.9±40.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3,4,4,4-五氟丁醛 在 氨 、 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-amino-1,1,1-trifluoro-3-buten-2-one
  参考文献：
  名称：

  含氟1,2-二氢嘧啶和嘧啶与2,2-二氢多氟烷基醛的直接制备

  摘要：

  描述了2，2-二氢多氟烷基醛与氨和烯醇醚或羰基化合物的反应。在氯化锌的存在下，所有反应都容易在50°C的THF中进行，以中等至良好的收率得到含氟的1,2-二氢嘧啶。在室温下用四氯-1,4-苯醌（TCBQ）或2,3-二氯-5,6-二氰基-1,4-苯醌（DDQ）对所得的含氟1,2-二氢嘧啶进行脱氢，得到相应的含氟嘧啶的收率很好。

  DOI：

  10.1016/j.tet.2007.04.010
• 作为产物：
  描述：

  五氟碘乙烷 、 乙烯基乙醚 在 sodium dithionite 作用下， 以 水 、 乙腈 为溶剂， 生成 3,3,4,4,4-五氟丁醛
  参考文献：
  名称：

  Synthesis of 5-per(poly)fluoroalkyl-2,3-dihydro-1,4-diazepines

  摘要：

  a series of 5-per(poly)fluoroalkyl-2,3-dihydro-1,4-diazepines were synthesized from alpha-per(poly)fluoroalkyl aldehydes and ethylenediamine. A possible reaction pathway was suggested. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00261-5

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE DELTA-5 DÉSATURASE ET PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2021108404A1

  公开（公告）日：2021-06-03

  The present disclosure provides compounds useful for the inhibition of Delta-5 Desaturase ("D5D"). The compounds have a general Formula (I): wherein the variables of Formula (I) are defined herein. This disclosure also provides pharmaceutical compositions comprising the compounds, uses of the compounds, and compositions for treatment of, for example, a metabolic or cardiovascular disorder. Further, the disclosure provides intermediates useful in the synthesis of compounds of Formula (I).

  本公开提供了用于抑制Delta-5 Desaturase ("D5D")的化合物。这些化合物具有一般的化学式（I）：其中化学式（I）中的变量在此处定义。本公开还提供了包括这些化合物的药物组合物，这些化合物的用途，以及用于治疗代谢或心血管疾病等疾病的组合物。此外，本公开提供了在合成化学式（I）化合物中有用的中间体。
• A Novel Synthesis of 2-Fluoroalkyl Quinolines
  作者：Quan-Fu Wang、Yun-Yu Mao、Chao-Yue Qin、Shi-Zheng Zhu、Chang-Ming Hu

  DOI：10.1007/s007060050006

  日期：2000.1.15

  2-Fluoroalkyl quinolines are prepared by reacting aniline with alpha-fluoroalkyl aldehydes or alpha-fluoroalkyl cyclohexanones in the presence of acetic acid. Under the same reaction condition, 2-aminophenol gives the corresponding 2-fluoroalkyl-8-quinolinols; in some cases, 2-fluoroalkyl benzoxazoles are also formed as minor products.
• A novel synthesis of 2-per(poly)fluoroalkyl-1H-benzimidazoles or 2-per(poly) fluoroalkyl benzothiazoles
  作者：Quan-Fu Wang、Yun-Yu Mao、Shi-Zheng Zhu、Chang-Ming Hu

  DOI：10.1016/s0022-1139(99)00012-3

  日期：1999.6

  A new method for the preparation of 2-per(poly)fluoroalkyl-1H-benzimidazoles or 2-per(poly)fluoroalkyl benzothiazoles from reaction of readily available alpha-per(poly)fluoroalkyl aldehydes with o-phenylenediamine or 2-aminobenzenethiol is presented. A possible reaction pathway is suggested. (C) 1999 Elsevier Science S.A. All rights reserved.
• Reactions of 2,2-dihydropolyfluoroalkylaldehydes with amines: a facile synthetic method for fluoroalkyl enaminoketones
  作者：Xian-Jin Yang、Jin-Tao Liu、Fu-Lu Zhao

  DOI：10.1016/j.jfluchem.2003.11.005

  日期：2004.3

  Reactions of 2,2-dihydropolyfluoroalkylaldehydes (1) with amines (2) were studied. Both aliphatic amines and electron-deficient aromatic amines readily reacted with I in acetonitrile and water under reflux to give fluoroalkyl enaminoketones (3) in high yields, while no condensed products were obtained by reactions of 1 with electron-rich aromatic amines under similar conditions. In the presence of triethylamine, however, the reaction of 1 with electron-rich aromatic amines at room temperature gave 3 in low yields. (C) 2003 Elsevier B.V. All rights reserved.
• Unexpected reaction of 2,2-dihydropolyfluoroalkylaldehydes with ammonia and aldehydes or ketones: a novel synthetic method for 4-fluoroalkyl-1,2-dihydropyrimidine
  作者：Xian-Jin Yang、Jin-Tao Liu

  DOI：10.1016/j.tetlet.2004.04.196

  日期：2004.6

  4-Fluoroalkyl-1,2-dihydropyrimidines were synthesized in good yields by the tri-component reaction of 2,2-dihydropolyfluoroalkylaldehydes, ammonia and aldehydes, ketones or enol ethers in the presence of zinc chloride under mild conditions. (C) 2004 Published by Elsevier Ltd.