1,4-Difluoro-2-butyne-1,4-dione | 675-75-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 1,4-Difluoro-2-butyne-1,4-dione
• 英文别名: 1,2-Difluorformyl-acetylen；Acetylencarbonsaeurefluorid；Acetylen-dicarbonsaeure-difluorid；Acetylendicarbonylfluorid；butynedioyl difluoride；But-2-ynedioyl difluoride
• CAS: 675-75-2
• 化学式: C₄F₂O₂
• 分子量: 118.04
• InChiKey: HHDDWWJMAGZGHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  吗啉 、 1,4-Difluoro-2-butyne-1,4-dione 生成 4,4'-butynedioyl-bis-morpholine
  参考文献：
  名称：

  Acetylenedicarbonyl fluoride. I. Its physical properties and reaction with nucleophilic reagents

  摘要：

  DOI：

  10.1021/jo00892a007
• 作为产物：
  描述：

  丁炔二酸 在 sulfur tetrafluoride 作用下， 生成 1,4-Difluoro-2-butyne-1,4-dione
  参考文献：
  名称：

  Acetylenedicarbonyl fluoride. I. Its physical properties and reaction with nucleophilic reagents

  摘要：

  DOI：

  10.1021/jo00892a007

文献信息

• The Chemistry of Sulfur Tetrafluoride. II. The Fluorination of Organic Carbonyl Compounds¹
  作者：W. R. Hasek、W. C. Smith、V. A. Engelhardt

  DOI：10.1021/ja01488a012

  日期：1960.2
• Squaric acid difluoride
  作者：Michael Senzlober、Hans Bürger、Reint Eujen、Achim Gelessus、Walter Thiel

  DOI：10.1016/s0022-1139(99)00138-4

  日期：1999.11

  Hitherto unknown squaric acid difluoride (3,4-difluoro-3-cyclobutene-1,2-dione) (1a) has been synthesized in 71% yield by gas phase fluorination of squaric acid dichloride (1c) with KF at 250 degrees C. (1a) has been characterized by multinuclear NMR, mass, IR and Raman spectra. The IR spectrum is in excellent agreement with its ab initio prediction (MP2, 6-311 + G(2d, p)). The vacuum thermolysis of (1a) at 700 degrees C does not yield the expected decarbonylation product FCCF (2a) although the precursor of the latter, F2CCCO, and three C3F4 isomers (propyne, allene, cyclopropene) which are also found as decomposition products of (2a) have been identified. (C) 1999 Elsevier Science S.A. All rights reserved.