α,α-dimethyl-3-(trifluoromethyl)benzenemethanol | 618-11-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α,α-dimethyl-3-(trifluoromethyl)benzenemethanol
• 英文别名: 2-(3-(trifluoromethyl)phenyl)propan-2-ol；dimethyl(m-trifluorophenyl)carbinol；2-(3-trifluoromethyl-phenyl)-propan-2-ol；2-(3-Trifluormethyl-phenyl)-propan-2-ol；2-Hydroxy-2-(3-trifluormethyl-phenyl)-propan；7.7.7-Trifluor-8-hydroxy-m-cymol；2-[3-(trifluoromethyl)phenyl]propan-2-ol
• CAS: 618-11-1
• 化学式: C₁₀H₁₁F₃O
• 分子量: 204.192
• InChiKey: BMUCYRUWKGJHFA-UHFFFAOYSA-N

物化性质

• 沸点：
  91.5 °C(Press: 10 Torr)
• 密度：
  1.2039 g/cm3(Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  α,α-dimethyl-3-(trifluoromethyl)benzenemethanol 在 盐酸 、 二氯甲烷 作用下， 生成 1-(α-chloro-isopropyl)-3-trifluoromethyl-benzene
  参考文献：
  名称：

  Rates of Solvolysis of Phenyldimethylcarbinyl Chlorides Containing Meta Directing Substituents^1,2

  摘要：

  DOI：

  10.1021/ja01551a052
• 作为产物：
  描述：

  甲基碘化镁 、 间三氟甲基苯乙酮 以95%的产率得到α,α-dimethyl-3-(trifluoromethyl)benzenemethanol
  参考文献：
  名称：

  Electronic effects on triplet and singlet excited-state carbonyl formation in the thermolysis of 3-aryl-3-methyl-1,2-dioxetanes

  摘要：

  DOI：

  10.1021/ja00379a021

文献信息

• Carbocation-Forming Reactions in Ionic Liquids
  作者：Xavier Creary、Elizabeth D. Willis、Madeleine Gagnon

  DOI：10.1021/ja0536623

  日期：2005.12.1

  water in the ionic liquid. The triflate derivative of pivaloin, trans-2-phenylcyclopropylcarbinyl mesylate, 2,2-dimethoxycyclobutyl triflate, the mesylate derivative of diethyl (phenylhydroxymethyl)-thiophosphonate, and Z-1-phenyl-5-trimethylsilyl-3-penten-1-yl trifluoroacetate all give products derived carbocation rearrangements (kDelta processes). anti-7-Norbornenyl mesylate gives products with complete

  已经在离子液体中研究了许多三氟乙酸盐、甲磺酸盐和三氟甲磺酸盐。几条证据表明，所有这些底物都通过电离反应生成碳阳离子中间体。例如，三氟乙酸枯基酯主要产生消除产物，但 -3.74 的 Hammett rho+ 值与碳阳离子过程一致。类似的 exo-2-phenyl-endo-3-deutero-endo-bicyclo[2.2.1]hept-2-yl trifluoroacetate 消除了外氢从阳离子中间体丢失的情况。1-金刚烷基甲磺酸酯和 2-金刚烷基三氟甲磺酸酯反应生成简单的取代产物，该产物源自离子液体中残留水对 1- 和 2-金刚烷基碳正离子的捕获。新戊酸的三氟甲磺酸酯衍生物，反式-2-苯基环丙基甲磺酸酯，2,2-二甲氧基环丁基三氟甲磺酸酯，(苯基羟甲基)-硫代膦酸二乙酯的甲磺酸酯衍生物和 Z-1-苯基-5-三甲基甲硅烷基-3-戊烯-1-基三氟乙酸酯均产生衍生的碳正离子重排产物（kDelta
• Stimuli increasing oviposition by female coffee white stem borer (Coleoptera: Cerambycidae)
  作者：Marc Rhainds、Maarten Warndorff、Phang Kok Chiew、Chin Chiew Lan、Gerhard Gries

  DOI：10.4039/ent133409-3

  日期：2001.6

  The coffee white stem borer, Xylotrechus quadripes (Chevrolat) is a major pest of coffee, Coffea arabica (L.) (Rubiaceae), in South Africa, India, Thailand, and China (Duffy 1968; Schoeman 1990; Visitpanich 1994; Montavon 1997). Females lay eggs singly or in batches, generally under bark crevices of the stem. Neonatal larvae feed beneath the bark and, during development, bore deeply inside the stem. Stems are colonized by up to 60 larvae. Extensive damage by larvae causes mortality of coffee plants or reduction of fruit production (Duffy 1968; GK veeresh). Because larvae inside the stems of coffee plants are difficult to control, management tactics are aimed at preventing infestation, either by interfering with oviposition of females or by killing neonates before they bore into the stem. Our study tested insect and host plant derived stimuli that may affect the selection of oviposition sites by female X. quadripes.

  咖啡白螟（Xylotrechus quadripes (Chevrolat)）是南非、印度、泰国和中国咖啡（Coffea arabica (L.) (Rubiaceae)）的主要害虫（Duffy 1968; Schoeman 1990; Visitpanich 1994; Montavon 1997）。雌虫单个或成批产卵，一般产在茎干的树皮缝隙下。新生幼虫在树皮下觅食，在发育过程中，深入茎干内部。茎上最多有 60 只幼虫。幼虫的大面积危害会导致咖啡植株死亡或果实减产（Duffy 1968；GK veeresh）。由于咖啡植株茎内的幼虫难以控制，因此管理策略的目的是通过干扰雌虫产卵或在幼虫钻入茎内之前将其杀死来防止幼虫侵染。我们的研究测试了可能影响雌性 X. quadripes 选择产卵地点的昆虫和寄主植物衍生刺激。
• Additions of substituted phenylthiyl radicals to substituted α-methylstyrenes
  作者：Brian N. Geers、Gerald Jay Gleicher、Daniel F. Church

  DOI：10.1016/0040-4020(80)80052-4

  日期：1980.1

  The radical addition of substituted thiophenols to α-methylstyrene and substituted α-methylstyrenes has been investigated at 70°. Relative reactivities of pairs of thiophenols competing with individual alkenes can be utilized to obtain Hammett correlations. The interplay of substituent effects in alkene and thiyl radical leads to examples of non-linear rho values. Rationales for this behavior will

  已经在70°下研究了取代的硫酚向α-甲基苯乙烯和取代的α-甲基苯乙烯的自由基加成。与各个烯烃竞争的硫酚对对的相对反应性可用于获得哈米特相关性。烯烃和噻吩基中取代基效应的相互作用导致了非线性rho值的例子。将根据基态和过渡态电子因素的可变贡献以及可能的机械变化来提供这种行为的理由。
• CONTINUOUS METHOD FOR THE CARBONYLATION OF ALCOHOLS, IN PARTICULAR OF PHENYL ALCOHOLS
  申请人：Pilia Raimondo

  公开号：US20130281729A1

  公开（公告）日：2013-10-24

  Organic synthesis, i.e., the synthesis of carboxylic acids by direct carbonylation of alcohols in a continuous process, and more particularly, the synthesis of phenylalkylic acids, which are synthesis intermediates useful in pharmaceutical chemistry, by direct carbonylation of phenyl alkyl alcohols.

  有机合成，即通过醇的直接羰基化合成羧酸的连续过程，更具体地说，通过苯基烷基醇的直接羰基化合成对制药化学有用的合成中间体苯基烷基酸。
• Stabilities of carbocations in solution. 14. An extended thermochemical scale of carbocation stabilities in a common superacid
  作者：Edward M. Arnett、Thomas C. Hofelich

  DOI：10.1021/ja00347a060

  日期：1983.5