3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one | 161643-63-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one
• CAS: 161643-63-6
• 化学式: C₁₀H₉F₃O₃
• 分子量: 234.175
• InChiKey: JTAKWPJCSZPSGW-UHFFFAOYSA-N

物化性质

• 沸点：
  329.1±42.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one 在 盐酸羟胺 、 sodium acetate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 18.0h， 以100%的产率得到3,3,3-Trifluoro-1-p-tolyl-propane-1,2-dione 1-oxime
  参考文献：
  名称：

  A Convenient Synthesis of 4-Trifluoromethylimidazol-1-ols

  摘要：

  1,1,1-Trifluoroalkane-2,3-dione 3-oximes easily obtainable from aldehyde dialkylhydrazones were reacted with aldehydes in: the presence of ammonium acetate followed by treatment with 1N HCl affording 4-trifluofomethylimidazol-1-ols in good yields.

  DOI：

  10.3987/com-99-8729
• 作为产物：
  描述：

  p-tolualdehyde dimethylhydrazone 在 2,6-二甲基吡啶 、 硫酸 作用下， 生成 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one
  参考文献：
  名称：

  A Convenient Synthesis of 4,5-Bis(trifluoromethyl)-pyridazines

  摘要：

  Acid catalyzed self condensation of 3-hydrazono-1,1,1-trifluoroalkan-2-ones (2) prepared from 1,1,1-trifluoroalkan-2,3-diones (1) and 100% hydrazine hydrate afforded 4,5-bis(trifluoromethyl)pyridazines (3) in satisfactory yields.

  DOI：

  10.3987/com-98-8301

文献信息

• A facile synthesis of fluorine-containing heterocycles - use of 1,1,1-trifluoro-2-alkanones as a convenient synthetic intermediate
  作者：Yasuhiro Kamitori

  DOI：10.1002/jhet.5570380339

  日期：2001.5

  3-alkanediones 2 easily obtainable from various aldehyde dialkylhydrazones were reacted with several diamines to afford trifluoromethylquinoxalines 3 and trifluoromethylpyrazines 4 in good yields. With the use of aldehydes and aqueous ammonia instead of diamines, diketones 2 were successfully converted to the corresponding 4-trifluoromethylimidazoles 5 in satisfactory yields.

  容易从各种醛二烷基hydr得到的1,1,1-三氟-2,3-烷二酮2与几种二胺反应，以高收率得到三氟甲基喹喔啉3和三氟甲基吡嗪4。通过使用醛和氨水代替二胺，二酮2以令人满意的产率成功转化为相应的4-三氟甲基咪唑5。
• Synthesis of 4-Trifluoromethylpyrimido[4,5-c]pyridazine-5,7-diones from Uracils
  作者：Masahiko Takahashi、Yoshinobu Ogawa、Kazuhiro Inoue

  DOI：10.3987/com-06-10781

  日期：——

  The reaction of 6-hydrazinouracils (1) with 3-aryl-1,1,1-trifluoropropane-2,3-dione monohydrates (2) in refluxing ethanol in the presence of p-toluenesulfonic acid gave regioselectively 3-aryl-4-trifluoromethyl-5,6,7,8-tetrahydropyrimido[4,5-c]pyridazine-5,7-diones (4a-e) in moderate yields. The location of a trifluoromethyl group at the C4 position was elucidated on the basis of the chemical transformation of the derivatives.
• Kamitori, Yasuhiro; Hojo, Masaru; Masuda, Ryoichi, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 3, p. 487 - 495
  作者：Kamitori, Yasuhiro、Hojo, Masaru、Masuda, Ryoichi、Ohara, Seiji、Kawasaki, Kazuyoshi、et al.

  DOI：——

  日期：——
• A Convenient and Facile Synthesis of 3-Trifluoromethyl-1,2,5-oxadiazoles with the Use of Silica Gel as an Effective Catalyst
  作者：Yasuhiro Kamitori

  DOI：10.3987/com-98-8425

  日期：——

  Silica gel catalyzed intramolecular dehydration of 1,1,1-trifluoroalkane-2,3-dione dioximes (2) afforded 3-trifluoromethyl-1,2,5-oxadiazoles (3) in satisfactory yields.
• A Convenient Synthesis of 4-Trifluoromethylimidazol-1-ols
  作者：Yasuhiro Kamitori

  DOI：10.3987/com-99-8729

  日期：——

  1,1,1-Trifluoroalkane-2,3-dione 3-oximes easily obtainable from aldehyde dialkylhydrazones were reacted with aldehydes in: the presence of ammonium acetate followed by treatment with 1N HCl affording 4-trifluofomethylimidazol-1-ols in good yields.