n-Propyl-heptafluor-butyrat | 2070-58-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: n-Propyl-heptafluor-butyrat
• 英文别名: heptafluoro-butyric acid propyl ester；Heptafluor-buttersaeure-propylester；Propyl heptafluorobutanoate；propyl 2,2,3,3,4,4,4-heptafluorobutanoate
• CAS: 2070-58-8
• 化学式: C₇H₇F₇O₂
• 分子量: 256.12
• InChiKey: BBVCHFOOSHSLGN-UHFFFAOYSA-N

物化性质

• 沸点：
  121.6±35.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)
• 保留指数：
  642;642.4

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  七氟丁酸 、 亚磷酸酯二正丙脂 生成 n-Propyl-heptafluor-butyrat
  参考文献：
  名称：

  Esterification of Carboxylic Acids by Dialkyl Phosphonates

  摘要：

  DOI：

  10.1021/ja01574a045

文献信息

• Homogeneous oxidation of alkanes: Role of rhodium–alkyl complexes
  作者：E.G. Chepaikin、A.P. Bezruchenko、G.N. Menchikova、А.Е. Gekhman

  DOI：10.1016/j.molcata.2016.07.026

  日期：2017.1

  Catalytic systems RhCl3–KI–NaCl and RhCl3–Cu(OAcf)2–NaCl in aqueous perfluorinated carboxylic acids (CF3COOH, C3F7COOH) are effective in coupled oxidation of alkanes and carbon monoxide with dioxygen. In their presence, predominant is the outer-sphere oxidation of alkanes into respective esters (alcohols) with involvement of peroxo rhodium species as an oxidant (mechanism A). The process occurs partially

  全氟羧酸水溶液（CF 3 COOH，C 3 F 7 COOH）中的催化体系RhCl 3 -KI-NaCl和RhCl 3 -Cu（OAc f）2 -NaCl可有效地将烷烃和一氧化碳与双氧耦合氧化。在它们的存在下，主要是烷烃在外层氧化为相应的酯（醇），其中过氧铑类物质作为氧化剂（机理A）。该过程部分是由内圈机制B发生的涉及Rh-烷基中间体。机理B受到（a）烷基氯的形成，（b）甲烷转化为乙酸的合成以及（c）丙烷氧化中的位置选择性的支持。
• FLUORINE-CONTAINING COPOLYMER COMPOSITION AND METHOD FOR PRODUCING SAME
  申请人：Asahi Glass Company, Limited

  公开号：EP2450406B1

  公开（公告）日：2015-10-14
• Use of fluorinated esters in fire extinguishing compositions
  申请人：Michael D. Jeffrey

  公开号：US20070023740A1

  公开（公告）日：2007-02-01

  Compositions and methods for fluorinated ester utilization as clean fire extinguishing agents are disclosed.
• FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS
  申请人：NAKANO Takashi

  公开号：US20120108723A1

  公开（公告）日：2012-05-03

  To provide a composition comprising a fluorocopolymer such as an ETFE which can be produced at a relatively low temperature, and its production process. A fluorocopolymer composition which comprises a fluorocopolymer such as an ETFE and a C 6-10 aliphatic compound having one carbonyl group, and which is in a solution state being at a temperature of at most the melting point of the fluorocopolymer, and a process for producing the fluorocopolymer composition, which comprises a step of dissolving the fluorocopolymer in the aliphatic compound having one carbonyl group at a temperature of at most the melting point of the fluorocopolymer.
• Esterification of Carboxylic Acids by Dialkyl Phosphonates
  作者：Friedrich W. Hoffmann、Herbert D. Weiss

  DOI：10.1021/ja01574a045

  日期：1957.9