methyl perfluoro(3,6-dioxaoctanoate)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl perfluoro(3,6-dioxaoctanoate)
• 英文别名: perfluoro(3,6-dioxaoctanoic acid) methyl ester；Methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetate
• 化学式: C₇H₃F₁₁O₄
• 分子量: 360.081
• InChiKey: BATGYYAKOYNFFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  苯乙酮 、 methyl perfluoro(3,6-dioxaoctanoate) 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 18.25h， 以8.1 g的产率得到4,4-Difluoro-1-phenyl-4-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]butane-1,3-dione
  参考文献：
  名称：

  ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE RING COMPOUND AND METHOD FOR ITS PRODUCTION

  摘要：

  提供一种具有优越氟代取代基的吡唑衍生物，适用于具有药理活性的制药产品或农用化学品，并提供其生产方法。所述化合物由以下式（A）表示，其中Rf是具有乙醚氧原子插入其碳-碳原子之间的C2-19全氟烷基基团，Rf中的碳原子和氧原子的总数为3至20，Q1和Q2中的一个是氢原子，另一个是苯基，或者至少一个苯基中的氢原子各自独立地被卤素原子取代，A1和A2中的一个是氮原子，另一个是与R1键合的氮原子。

  公开号：

  US20160295864A1
• 作为产物：
  描述：

  sodium 3,6-dioxa-F-octanoate 在 盐酸 作用下， 25.0~70.0 ℃ 、101.33 kPa 条件下， 生成 methyl perfluoro(3,6-dioxaoctanoate)
  参考文献：
  名称：

  FLUORINE-CONTAINING COMPOUND PURIFICATION METHOD

  摘要：

  公开号：

  EP2298726B1

文献信息

• Some approaches to the synthesis of fluorinated alcohols and esters. I. Completely fluorinated esters from the hunsdiecker reaction of silver F-alkanoates with iodine
  作者：Neal O. Brace

  DOI：10.1016/s0022-1139(00)82668-8

  日期：1981.10

  A completely fluorinated ester of the type RFCO2CF2RF′ was obtained from reaction of silver 3,6,9-trioxa-F-undecanoate and iodine with a diluent at 130°. This new substance resembled closely the previously prepared 1,1-dichloro-F-alkyl esters and was hydrolytically and thermally labile. Substitution products, RFCOY (Y = nucleophile) and pyrolysis products, RFCOF and RF′COF were isolated and characterized

  由3,6,9-三氧杂-F-十一酸银和碘与稀释剂在130°C下反应制得R F CO 2 CF 2 R F '型的完全氟化酯。这种新物质非常类似于先前制备的1,1-二氯-F-烷基酯，并且水解和热不稳定。取代产物，R ˚F COY（Y =亲核）和热解产物，R ˚F COF和R ˚F 'COF进行分离和表征。似乎酰基次碘酸盐和碘代-F-烷烃通过S E i型过程反应生成了完全氟化的酯。
• ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE RING COMPOUND AND METHOD FOR ITS PRODUCTION
  申请人：ASAHI GLASS COMPANY, LIMITED

  公开号：US20160295864A1

  公开（公告）日：2016-10-13

  To provide a pyrazole derivative having a superior fluorinated substituent, which is useful for pharmaceutical products or agricultural chemicals having pharmacological activities, and a method for its production. A compound represented by the following formula (A), wherein R f is a C 2-19 perfluoroalkyl group having ethereal oxygen atom(s) inserted between carbon-carbon atoms of the group, and the total number of carbon atoms and oxygen atoms in R f being from 3 to 20, one of Q 1 and Q 2 is a hydrogen atom, and the other is a phenyl group, or a phenyl group in which at least one hydrogen atom in the phenyl group is each independently substituted by a halogen atom, and one of A 1 and A 2 is a nitrogen atom, and the other is a nitrogen atom to which R 1 is bonded.

  提供一种具有优越氟代取代基的吡唑衍生物，适用于具有药理活性的制药产品或农用化学品，并提供其生产方法。所述化合物由以下式（A）表示，其中Rf是具有乙醚氧原子插入其碳-碳原子之间的C2-19全氟烷基基团，Rf中的碳原子和氧原子的总数为3至20，Q1和Q2中的一个是氢原子，另一个是苯基，或者至少一个苯基中的氢原子各自独立地被卤素原子取代，A1和A2中的一个是氮原子，另一个是与R1键合的氮原子。
• Metered-dose aerosol formulations
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0965335A1

  公开（公告）日：1999-12-22

  Pharmaceutical suspension aerosol formulations using 1,1,1,2-tetrafluoroethane or 1,1,1,2,3,3,3-heptafluoro-propane as the propellant and beclomethasone diprionate-1,1,1,2-tetrafluoroethane clathrate for use in aerosol formulations.

  使用 1,1,1,2-四氟乙烷或 1,1,1,2,3,3,3-七氟丙烷作为推进剂的药用悬浮气雾剂配方，以及用于气雾剂配方的倍氯米松二丙酸酯-1,1,1,2-四氟乙烷凝块。
• ETHEREAL OXYGEN-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRAZOLE COMPOUND AND PRODUCTION METHOD THEREFOR
  申请人：Asahi Glass Company, Limited

  公开号：EP3093284A1

  公开（公告）日：2016-11-16

  To provide a pyrazole derivative having a superior fluorinated substituent, which is useful for pharmaceutical products or agricultural chemicals having pharmacological activities, and a method for its production. A compound represented by the hollowing formula (A), wherein Rf is a C2-19 perfluoroalkyl group having ethereal oxygen atom(s) inserted between carbon-carbon atoms of the group, and the total number of carbon atoms and oxygen atoms in Rf being from 3 to 20, one of Q1 and Q2 is a hydrogen atom, and the other is a phenyl group, or a phenyl group in which at least one hydrogen atom in the phenyl group is each independently substituted by a halogen atom, and one of A1 and A2 is a nitrogen atom, and the other is a nitrogen atom to which R1 is bonded.

  提供一种具有优良氟化取代基的吡唑衍生物，该衍生物可用于具有药理活性的医药产品或农药，并提供其生产方法。一种由空心式（A）表示的化合物，其中 Rf 是 C2-19 全氟烷基，该基团的碳-碳原子之间插入有乙氧基，Rf 中碳原子和氧原子的总数为 3 至 20、Q1和Q2中的一个是氢原子，另一个是苯基，或苯基中至少有一个氢原子各自独立地被卤素原子取代的苯基，A1和A2中的一个是氮原子，另一个是R1键合的氮原子。
• ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR PRODUCING SAME
  申请人：Asahi Glass Company, Limited

  公开号：EP3144297A1

  公开（公告）日：2017-03-22

  To provide a pyrimidine derivative having a fluorinated substituent group, that can be applied to an agricultural chemical or pharmaceutical having excellent pharmacological activities, and a method for producing said derivative. A compound represented by the following formula (A). Rf is a group having an etheric (ethereal) oxygen atom inserted between carbon-carbon atoms in a C2-19 perfluoroalkyl group, wherein the total of the number of carbon atoms and the number of oxygen atoms is from 3 to 20. R1 is a C1-6 alkyl group, etc. Q1 is R2C(O)-, R3OC(O)-, a carboxy group, R4OC(O)NH-, an amino group, or R5C(O)NH- (R2 to R5 are each independently a C1-6 alkyl group, etc.).

  提供一种具有氟化取代基团的嘧啶衍生物，该衍生物可应用于具有优异药理活性的农用化学品或药品，并提供一种生产上述衍生物的方法。由下式（A）代表的化合物。Rf 是在 C2-19 全氟烷基的碳-碳原子之间插入一个乙醚（etheral）氧原子的基团，其中碳原子数和氧原子数的总和为 3 至 20。R1 是 C1-6 烷基等。Q1 是 R2C(O)-、R3OC(O)-、羧基、R4OC(O)NH-、氨基或 R5C(O)NH-（R2 至 R5 各自独立地为 C1-6 烷基等）。