4-氟-alpha-(4-氟苯基)-alpha-(三氟甲基)-苯甲醇 | 733-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氟-alpha-(4-氟苯基)-alpha-(三氟甲基)-苯甲醇
• 英文名称: 2,2,2-trifluoro-1,1-bis(4-fluorophenyl)ethanol
• 英文别名: 2,2,2-trifluoro-1,1-bis-(4-fluoro-phenyl)-ethanol；2,2,2-Trifluor-1,1-bis-(4-fluor-phenyl)-aethanol；1,1-Bis-<4-fluor-phenyl>-2,2,2-trifluor-aethanol；Bis(4-fluorophenyl)trifluoromethyl carbinol
• CAS: 733-83-5
• 化学式: C₁₄H₉F₅O
• mdl: MFCD00040103
• 分子量: 288.217
• InChiKey: FLLLTDUIYQQQQP-UHFFFAOYSA-N

物化性质

• 沸点：
  111-114°C 3mm
• 密度：
  1.382±0.06 g/cm3(Predicted)
• 闪点：
  >110°C

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2906299090
• 安全说明：
  S26,S36/37/39

反应信息

• 作为反应物：
  描述：

  4-氟-alpha-(4-氟苯基)-alpha-(三氟甲基)-苯甲醇 在 硫酸 作用下， 生成 (6-fluoro-9-trifluoromethyl-fluoren-3-yl)-methyl ether
  参考文献：
  名称：

  The Cyclization Reaction of Di-(p-halogenophenyl)-trifluoromethylcarbinols

  摘要：

  DOI：

  10.1021/ja01563a062
• 作为产物：
  描述：

  三氟乙酸乙酯 、 4-氟苯基溴化镁 在 乙醚 作用下， 生成 4-氟-alpha-(4-氟苯基)-alpha-(三氟甲基)-苯甲醇
  参考文献：
  名称：

  Synthesis and Biological Properties of Diaryl-(trifluoromethyl)-carbinols

  摘要：

  DOI：

  10.1021/ja01620a064

文献信息

• Substituent Effects on the Solvolysis of 1,1-Diphenyl-2,2,2-trifluoroethyl Tosylates: Comparison between Symmetrically Disubstituted and Monosubstituted Systems
  作者：Mizue Fujio、Hiroshi Morimoto、Hyun-Joong Kim、Yuho Tsuno

  DOI：10.1246/bcsj.70.1403

  日期：1997.6

  The solvolysis rates of 1-(substituted phenyl)-1-phenyl-2,2,2-trifluoroethyl and 1,1-bis(substituted phenyl)-2,2,2-trifluoroethyl tosylates or bromides were conductimetrically measured at 25.0 °C i...

  1-(取代苯基)-1-苯基-2,2,2-三氟乙基和1,1-双(取代苯基)-2,2,2-三氟乙基甲苯磺酸盐或溴化物的溶剂分解速率在25.0°C下电导测量一世...
• Cyclodehydration of diphenyl-trifluoromethyl-carbinols
  作者：A. Kaluszyner、S. Cohen

  DOI：10.1016/s0040-4020(01)93174-6

  日期：1960.1

  The halochromic product from di-(p-fluorophenyl) -trifluoromethylcarbinol and sulphuric acid gives with ethyl mercaptan 3-ethylthio-6 fluoro-9-trifluoromethylfluorene. Analogous reactions have been observed with (p-chlorophenyl)-(p-fluorophenyl)-, with (p-fluorophenyl)-phenyl-. and with diphenyl-trifluoromethyl-carbinol.

  由二-（对氟苯基）-三氟甲基甲醇和硫酸的卤化产物与乙基硫醇3-乙基硫基6-氟-9-三氟甲基芴一起提供。已经观察到与（对-氯苯基）- （对-氟苯基）-，与（对-氟苯基）-苯基-类似的反应。和二苯基三氟甲基甲醇。
• The Ritter Reaction of Tertiary Trihalomethylcarbinols and Related Substances
  作者：Ascher Kaluszyner、Shoshana Blum、Ernst D. Bergmann

  DOI：10.1021/jo01047a527

  日期：1963.12
• Nucleophilic Trifluoromethylation of Carbonyl Compounds and Disulfides with Trifluoromethane and Silicon-Containing Bases
  作者：Sylvie Large、Nicolas Roques、Bernard R. Langlois

  DOI：10.1021/jo000150s

  日期：2000.12.1

  Provided that DMF (or another N,N-dialkylformamide) is present in the reaction medium, at least in a catalytic amount, fluoroform trifluoromethylates efficiently carbonyl compounds, even enolizable ones, when opposed to (TMS)(2)N- M+, generated in situ from N(TMS)(3) and M+ F- or RO- Na+ When F- is used ina catalytic amount, silylated alpha-(trifluoromethyl)carbinols are-obtained: in this case, the four-component system HCF3/N(TMS)(3)/catalytic F-/catalytic DMF behaves like the Ruppert's reagent, especially as far as nonenolizable carbonyl compounds are concerned (CF3SiMe3 remains more efficient for enolizable carbonyl compounds). This process involves an adduct between DMF and -CF3 which is the true trifluoromethylating agent. In the same way, fluoroform efficiently trifluoromethylates disulfides and diselenides when deprotonated with a strong base selected from t-BuOK or N(SiMe3)(3)/Me4NF (or TBAT). t-BuOK is more adapted to the trifluoromethylation of aryl disulfides whereas N(SiMe3)(3)/F- is well suited to that of aliphatic disulfides.
• Trifluoromethylation of Nonenolizable Carbonyl Compounds with a Stable Piperazino Hemiaminal of Trifluoroacetaldehyde
  作者：Thierry Billard、Bernard R. Langlois、Gaëlle Blond

  DOI：10.1002/1099-0690(200104)2001:8<1467::aid-ejoc1467>3.0.co;2-a

  日期：2001.4