Ethyl-2-trifluormethyl-2-methylhexanoat | 74106-78-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl-2-trifluormethyl-2-methylhexanoat
• 英文别名: ethyl 2-Trifluoromethyl-2-methylhexanoate；ethyl 2-methyl-2-(trifluoromethyl)hexanoate
• CAS: 74106-78-8
• 化学式: C₁₀H₁₇F₃O₂
• 分子量: 226.239
• InChiKey: PNPBANMQNQUHNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  sulfur tetrafluoride 、 2-carboethoxy-2-methylhexanoic acid 在 氢氟酸 作用下， 以 二氯甲烷 、 正戊烷 为溶剂， 以3.14 g (42%)的产率得到ethyl 2-(trifluoromethyl)hexanate
  参考文献：
  名称：

  16-CF.sub.3 prostaglandins

  摘要：

  生产光学活性的16-取代前列腺素的方法以及由此产生的新的16-取代前列腺素，这些化合物可作为心血管药物、催产剂以及用于终止妊娠的药物。

  公开号：

  US04112225A1

文献信息

• 16-Substituted prostaglandins
  申请人：Hoffmann-La Roche Inc.

  公开号：US04187381A1

  公开（公告）日：1980-02-05

  A process for producing optically active 16-substituted prostaglandins and new 16-substituted prostaglandins produced thereby which are useful as cardiovascular agents and as agents for inducing labor in pregnant females and for the termination of pregnancy.

  一种生产光学活性的16-取代前列腺素及由此产生的新的16-取代前列腺素的方法，这些物质可用作心血管药物，用于促进孕妇分娩和终止妊娠。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME
  申请人：Shibata Norio

  公开号：US20120130090A1

  公开（公告）日：2012-05-24

  A trifluoromethylthiophenium derivative salt useful as synthetic intermediates for pharmaceuticals and agrochemicals, a method for producing the same, and a method for producing trifluoromethyl-containing compounds using the same are provided. An S-(trifluoromethyl)-benzo[b]thiophenium derivative salt is represented by the following general formula (1): wherein R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a methoxy group, an ethoxy group, a linear, branched, or cyclic alkyloxy group having 3 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom, a nitro group, or a cyano group, R 5 is a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a phenyl group, or a substituted phenyl group, and X − represents an anion. Various trifluoromethyl-containing compounds are produced using a method for producing the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt, and using the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt as a trifluoromethylating agent.

  本发明提供一种三氟甲基噻吩盐衍生物，可用作制药和农药的合成中间体，以及其制备方法和使用该盐衍生物制备含三氟甲基化合物的方法。S-(三氟甲基)-苯并[b]噻吩盐衍生物由下列普通式（1）表示：其中，R1、R2、R3和R4各自独立地是氢原子、甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、甲氧基基团、乙氧基基团、具有3至10个碳原子的线性、支链或环烷氧基基团、氟原子、氯原子、溴原子、硝基或氰基，R5是甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、苯基或取代苯基，X-表示阴离子。使用制备S-(三氟甲基)-苯并[b]噻吩盐衍生物的方法以及使用S-(三氟甲基)-苯并[b]噻吩盐衍生物作为三氟甲基化试剂可以制备各种三氟甲基含量的化合物。
• 4-(3-Oxo-4-trifluoromethyl-1-octenyl)-2-oxo-2H-cyclopenta[b]furans
  申请人：Hoffmann-La Roche Inc.

  公开号：US04190587A1

  公开（公告）日：1980-02-26

  A process for producing optically active 16-substituted prostaglandins and new 16-substituted prostaglandins produced thereby which are useful as cardiovascular agents and as agents for inducing labor in pregnant females and for the termination of pregnancy.

  一种生产光学活性16-取代前列腺素的方法，以及由此产生的新型16-取代前列腺素，其可用作心血管药物、妊娠女性诱导分娩和终止妊娠的药物。
• Bicyclic lactone intermediates for 16-substituted prostaglandins
  申请人：Hoffmann-La Roche Inc.

  公开号：US04237276A1

  公开（公告）日：1980-12-02

  A process for producing optically active 16-substituted prostaglandins and new 16-substituted prostaglandins produced thereby which are useful as cardiovascular agents and as agents for inducing labor in pregnant females and for the termination of pregnancy.

  一种制备光学活性的16-取代前列腺素和由此产生的新的16-取代前列腺素的方法，其可用作心血管药物以及用于妊娠女性的引产和终止妊娠的药物。
• 16-Substituted prostaglandin intermediate
  申请人：Hoffmann-La Roche Inc.

  公开号：US04256911A1

  公开（公告）日：1981-03-17

  A process for producing optically active 16-substituted prostaglandins and new 16-substituted prostaglandins produced thereby which are useful as cardiovascular agents and as agents for inducing labor in pregnant females and for the termination of pregnancy.

  一种生产光学活性的16-取代前列腺素的方法，以及由此产生的新的16-取代前列腺素，这些化合物可作为心血管药物和诱导孕妇分娩和终止妊娠的药物。