3-ethyl-3-pentyl fluoride | 649-80-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 3-ethyl-3-pentyl fluoride
• 英文别名: 3-fluoro-3-ethylpentane；3-ethyl-3-fluoro-pentane；3-Ethyl-3-pentyl-fluorid；3-Ethyl-3-pentylfluorid；3-Fluor-3-aethyl-pentan；Pentane, 3-ethyl-3-fluoro-；3-ethyl-3-fluoropentane
• CAS: 649-80-9
• 化学式: C₇H₁₅F
• 分子量: 118.195
• InChiKey: GRTLXIVYGJAJDW-UHFFFAOYSA-N

物化性质

• 沸点：
  45 °C(Press: 84 Torr)
• 密度：
  0.790±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-ethyl-3-pentyl fluoride 、 五氟化锑 以 一氟三氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Crystal structure of the tert-butyl cation

  摘要：

  The structure of the tert-butyl cation (1) could be determined by an X-ray crystal structure analysis of its Sb2F11- salt at -80-degrees-C (P2(1), a = 6.123(2) angstrom, b = 13.758(4) angstrom, c = 7.614(4) angstrom, beta = 100.67(3)degrees; R = 0.029, R(w) = 0.029). Suitable crystals of 1.Sb2F11 were obtained only from a methylene chloride solution of the corresponding tert-pentyl salt by slow decomposition. The cation is planar within our limits of accuracy, the C+-C bonds have an average length of 1.442(5) angstrom, and the C-C+-C bond angles are 120(1)degrees. These results agree with the nutation NMR results of Yannoni, Myhre, et al. and recent ab initio results of Schleyer et al. In the crystal, the cation is surrounded by fluorine atoms from a total of eight counterions. The packing motif of cations and anions is similar to that of CsCl. Several other simple tertiary alkyl salts gave no suitable crystals for an X-ray structure determination.

  DOI：

  10.1021/ja00069a023
• 作为产物：
  描述：

  3-乙基-3-戊醇 在 吡啶 、 氢氟酸 作用下， 生成 3-ethyl-3-pentyl fluoride
  参考文献：
  名称：

  Synthetic methods and reactions. 63. Pyridinium poly(hydrogen fluoride) (30% pyridine-70% hydrogen fluoride): a convenient reagent for organic fluorination reactions

  摘要：

  DOI：

  10.1021/jo01336a027

文献信息

• NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND
  申请人：Suzuki Keiko

  公开号：US20120108639A1

  公开（公告）日：2012-05-03

  The present invention provides a compound having excellent regulating action on blood lipid level that is represented by the following general formula (I) or a pharmacologically acceptable salt thereof, wherein, in one embodiment, A represents a 5-membered nitrogen-containing aromatic heterocyclyl group; R 1 represents COOH; each R 2 represents an alkyl; each R 3 represents an optionally substituted phenyl, an optionally substituted phenylalkyl; m represents 0, 1, 2, or 3; n represents 0 or 1; each of R 4 , R 5 , R 6 , and R 7 represents H, an alkyl; and B represents an optionally substituted naphthyl, an optionally substituted aromatic heterocyclyl, or a group represented by the following formula (II) wherein each of B 1 and B 2 represents an optionally substituted phenyl or an optionally substituted aromatic heterocyclyl.

  本发明提供了一种具有优异的调节血脂水平作用的化合物，其表示为以下通式(I)或其药学上可接受的盐，其中，在一种实施例中，A代表5-成员含氮芳香杂环基；R1代表COOH；每个R2代表烷基；每个R3代表可选取代的苯基，可选取代的苯基烷基；m代表0、1、2或3；n代表0或1；每个R4、R5、R6和R7代表H，烷基；B代表可选取代的萘基，可选取代的芳香杂环基，或由以下公式(II)表示的基团，其中，每个B1和B2代表可选取代的苯基或可选取代的芳香杂环基。
• Wiechert,K. et al., Zeitschrift fur Chemie, 1968, vol. 8, # 2, p. 64 - 65
  作者：Wiechert,K. et al.

  DOI：——

  日期：——
• OLAH G. A.; WELCH J. T.; VANKAR Y. D.; NOJIMA MOSATOMO; KEREKES I.; OLAH +, J. ORG. CHEM., 1979, 44, NO 22, 3872-3881
  作者：OLAH G. A.、 WELCH J. T.、 VANKAR Y. D.、 NOJIMA MOSATOMO、 KEREKES I.、 OLAH +

  DOI：——

  日期：——
• ETHER COMPOSITION
  申请人：SHIRAKAWA Daisuke

  公开号：US20100240560A1

  公开（公告）日：2010-09-23

  An ether composition and a lubricant which bond to substrates with a high bonding ratio and form a coating having a low friction coefficient surface are provided. An ether composition comprising at least two compounds selected from (X—) 3 Y 3 , (X—) 2 Y 3 —Z and X—Y 3 (—Z) 2 wherein the total number of moles of CF 3 groups in Z in relation to the sum of the total number of moles of CF 3 groups in Z and the total number of moles of OH groups in X is at least 0.001 and at most 0.30. X is HO—(CH 2 CH 2 O) a .(CH 2 CH(OH)CH 2 O) b -Q-, Y 3 is a perfluoroalkane-triyl group, and Z is CF 3 (CF 2 ) s O(CF 2 CF 2 O) g —, wherein a is an integer of from 0 to 100, b is 0 or 1, s is an integer of from 0 to 19, g is an integer of from 3 to 200, and Q is a polyfluorinated polymethylene group or a polyfluorinated polymethylene group having an etheric oxygen atom bonded between carbon-carbon atoms and/or an etheric oxygen atom bonded to the terminal carbon atom bonded to Y 3 .
• US8648103B2
  申请人：——

  公开号：US8648103B2

  公开（公告）日：2014-02-11