2-(4-(tert-butyl)phenyl)propan-2-ol | 23853-82-9

• 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: 2-(4-(tert-butyl)phenyl)propan-2-ol
• 英文别名: 2-Hydroxy-2-(4-tert.-butyl-phenyl)-propan；4-tert-butyl-α,α-dimethyl-benzylalcohol；2-(4-Tert-butylphenyl)propan-2-ol
• CAS: 23853-82-9
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: NZOYROYEQWWFIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(4-(tert-butyl)phenyl)propan-2-ol 在 LDMAN 、 zinc(II) iodide 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.67h， 生成 2-(4-tert-butylphenyl)-2,4-dimethyl-3-pentanol
  参考文献：
  名称：

  枯基苯基硫化物在还原锂化作用下形成双枯基而不是枯基锂。SET亲核取代中的噻吩基作为离去基团

  摘要：

  在用芳族自由基阴离子还原后，枯基苯基硫化物（1 S）主要产生双枯基（2）而不是预期的枯基锂（3），尽管此处有文献报道错误地表明产生了阴离子3。汇编了文献中的相关示例。建议的机理涉及从产生的枯基锂（3）到枯基苯基硫化物（1 S）的单电子转移，产生噻吩二氧阴离子和两个枯基，它们主要在溶剂笼中偶联。实验证明了这种被阴离子3取代的噻吩氧化物。对叔苯基或枯基环上的-丁基基团可能通过空间抑制被认为是电子转移所必需的pi络合物而增加了枯基锂与双枯基的比例。

  DOI：

  10.1016/s0040-4020(97)00544-9
• 作为产物：
  描述：

  p-tert.-Butyl-cumol 在 cobalt(II) acetate 、 manganese triacetate 二叔丁基过氧化物 、 氧气 、 丁酸 作用下， 生成 2-(4-(tert-butyl)phenyl)propan-2-ol
  参考文献：
  名称：

  van Helden,R. et al., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 1257 - 1277

  摘要：

  DOI：

文献信息

• Oxidation of Tertiary Aromatic Alcohols to Ketones in Water
  作者：Dengfeng Chen、Yuchen Zhang、Xingyu Pan、Fei Wang、Shenlin Huang

  DOI：10.1002/adsc.201800612

  日期：2018.9.17

  A new rosin‐based amphiphile enables the oxidation of tertiary aromatic alcohols in water under mild conditions. The oxidation process is mediated by β‐scission of alkoxy radicals. Our catalyst system including the surfactant, catalysts, and water can be easily recycled within the same reaction vial.

  一种新的基于松香的两亲物能够在温和条件下氧化水中的芳族叔醇。氧化过程是由烷氧基的β断裂介导的。我们的催化剂体系，包括表面活性剂，催化剂和水，可以在同一反应瓶中轻松回收。
• ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD.

  公开号：US20200048248A1

  公开（公告）日：2020-02-13

  The present invention relates to a 1,2-dihydropyrrol[3,4-c]pyridin/pyrimidin-3-one derivative substituted by N-(3-aminophenyl)acrylamide and a preparation method and pharmaceutical use thereof. In particular, the present invention relates to a compound of formula (II) or a pharmaceutically acceptable salt, stereoisomer, solvate, or prodrug thereof and a preparation method and application of the same. The definition of each substituent in the formula is described in detail in the specification and claims.

  本发明涉及一种由N-(3-氨基苯基)丙烯酰胺取代的1,2-二氢吡咯[3,4-c]吡啶/嘧啶-3-酮衍生物，以及其制备方法和药用。具体来说，本发明涉及式（II）化合物或其药用可接受的盐、立体异构体、溶剂合物或前药，以及其制备方法和应用。公式中每个取代基的定义在说明书和权利要求中有详细描述。
• 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。
• CHROMAN DERIVATIVES AS TRPM8 INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140045855A1

  公开（公告）日：2014-02-13

  Chroman compounds and derivatives of Formula I are useful inhibitors of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  Formula I的Chroman化合物和衍生物是TRPM8的有用抑制剂。这些化合物在治疗多种由TRPM8介导的疾病和症状方面具有用途，并可用于制备治疗这些疾病和症状的药物和药物组合物。这些疾病的例子包括，但不限于，偏头痛和神经病性疼痛。Formula I的化合物具有以下结构：变量的定义在此提供。
• Synthesis and Analysis of Resorcinol-Acetone Copolymer
  作者：Ataru Kobayashi、Gen-ichi Konishi

  DOI：10.3390/molecules14010364

  日期：——

  Synthesis and characterization of resorcinol-acetone copolymer is described. The polymer was prepared by trifluoroacetic acid-catalyzed polymerization of resorcinol with acetone. According to the 1H-NMR, 13C-NMR, and MALDI-TOF Mass spectra data, the obtained polymer had three types of repeating units: isopropylidene bridged-resorcinol, chromane ring, and spiro-shaped double chromane ring, indicating that polymerization proceeded via simultaneous addition-condensation and cyclization of resorcinol with acetone. The obtained polymer can be useful not only for the development of plastic materials such as thermosets, adhesives, and coatings but also for the synthesis of biomaterials such as antimicrobial agents, pesticides, and medicines.

  介绍了间苯二酚-丙酮共聚物的合成和特性。该聚合物由间苯二酚与丙酮在三氟乙酸催化下聚合而成。根据 1H-NMR、13C-NMR 和 MALDI-TOF 质谱数据，得到的聚合物有三种重复单元：异丙基桥接间苯二酚、铬烷环和螺形双铬烷环，表明聚合是通过间苯二酚与丙酮同时加成缩合和环化进行的。所获得的聚合物不仅可用于开发热固性塑料、粘合剂和涂料等塑料材料，还可用于合成抗菌剂、杀虫剂和药物等生物材料。