3,4-二甲基[1,1-联苯]-4-醇 | 175136-31-9

• 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: 3,4-二甲基[1,1-联苯]-4-醇
• 英文名称: 3,4'-dimethyl-(1,1'-biphenyl)-4-ol
• 英文别名: 3,4'-dimethyl(1,1'-biphenyl)-4-ol；4-(4-methylphenyl)-2-methylphenol；4-Hydroxy-3,4'-dimethylbiphenyl；2-methyl-4-(p-tolyl)phenol；2-Methyl-4-p-tolyl-phenol；4-Hydroxy-3.4'-dimethyl-biphenyl；2-Methyl-4-(4-methylphenyl)phenol
• CAS: 175136-31-9
• 化学式: C₁₄H₁₄O
• mdl: MFCD00218801
• 分子量: 198.265
• InChiKey: BNZOPTDFDBYNAD-UHFFFAOYSA-N

物化性质

• 熔点：
  136 °C
• 沸点：
  320.1±11.0 °C(Predicted)
• 密度：
  1.067±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  1
• 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：
  1

安全信息

• 海关编码：
  2907199090

反应信息

• 作为反应物：
  描述：

  3,4-二甲基[1,1-联苯]-4-醇 在 N-甲基吡咯烷酮 、 air 、 caesium carbonate 作用下， 反应 96.0h， 以22%的产率得到5-(p-tolyl)benzo[d][1,3]dioxole
  参考文献：
  名称：

  2-甲基-4-取代的苯酚到1,2-（亚甲二氧基）-4-取代的苯的新型碱促进的氧化重排

  摘要：

  在碱和空气的存在下，将几种2-甲基-4-取代的苯酚5氧化重排为1,2-（亚甲基二氧基）-4-取代的苯6。提出了一种机制。

  DOI：

  10.1016/s0040-4039(97)00623-0
• 作为产物：
  描述：

  2-甲基-2-环己烯-1-酮 、 对溴甲苯 在 palladium diacetate 、 caesium carbonate 、 三苯基膦 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 15.0h， 以47%的产率得到3,4-二甲基[1,1-联苯]-4-醇
  参考文献：
  名称：

  An Alternative Approach to para-C–H Arylation of Phenol: Palladium-Catalyzed Tandem γ-Arylation/Aromatization of 2-Cyclohexen-1-one Derivatives

  摘要：

  An efficient approach to prepare para-aryl phenols has been developed by using a Pd-catalyzed tandem gamma-arylation/aromatization of 2-cyclohexen-1-one derivatives with aryl bromides. This approach provides various p-aryl phenols from the phenol surrogates, 2-cyclohexen-1-one derivatives, in a single reaction step on the basis of C-H arylation.

  DOI：

  10.1021/ol300145g

文献信息

• PHOTOREACTIVE COMPOUNDS
  申请人：Lincker Frederic

  公开号：US20140192305A1

  公开（公告）日：2014-07-10

  The present invention relates to photoreactive compounds that are particularly useful in materials for the alignment of liquid crystals.

  本发明涉及光反应性化合物，特别适用于液晶对准材料的制作。
• Catalytic Activation of Unstrained C(Aryl)–C(Alkyl) Bonds in 2,2′-Methylenediphenols
  作者：Jun Zhu、Yibin Xue、Rui Zhang、Benjamin L. Ratchford、Guangbin Dong

  DOI：10.1021/jacs.1c13342

  日期：2022.2.23

  unstrained and nonpolar C–C bonds remains a largely unmet challenge. Here, we describe our detailed efforts in developing a rhodium-catalyzed hydrogenolysis of unstrained C(aryl)–C(alkyl) bonds in 2,2′-methylenediphenols aided by removable directing groups. Good yields of the monophenol products are obtained with tolerating a wide range of functional groups. In addition, the reaction is scalable, and

  无应变和非极性 C-C 键的催化活化仍然是一个很大程度上未解决的挑战。在这里，我们描述了我们在开发铑催化氢解 2,2'-亚甲基二酚中无应变 C(芳基)-C(烷基)键的详细努力，并辅以可去除的定向基团。通过耐受广泛的官能团，获得了良好的单酚产品收率。此外，该反应具有可扩展性，催化剂负载量可降至 0.5 mol%。此外，该方法被证明可有效切割酚醛树脂和商用酚醛清漆树脂模型中的 C（芳基）-C（烷基）键。最后，详细的实验和计算机制研究表明，C-H 活化是一种竞争性但可逆的非循环反应，
• BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR
  申请人：Chu Chang An

  公开号：US20080255198A1

  公开（公告）日：2008-10-16

  The present invention relates to compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , m, n, p and s are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases that are associated with the activation of the glycogen synthase enzyme, such as diabetes.

  本发明涉及公式（I）的化合物，其中R1，R2，R3，R4，m，n，p和s如描述和权利要求中所定义，并且其药学上可接受的盐。该化合物用于治疗和/或预防与糖原合成酶酶的激活相关的疾病，如糖尿病。
• Efficient access to triphenylene derivatives via carbamate-directed bay-region selective arylation of biphenol derivatives and Scholl cyclization
  作者：Chuane Guo、Yunfeng Liu、Yang Liu、Hongbin Zhang、Dan Yi、Shuo Wang、Bi-Qin Wang、Shi-Kai Xiang、Yingbo Shi

  DOI：10.1016/j.tet.2024.133985

  日期：2024.5

  for carbamate-directed -C-H bond arylation of biphenyl derivatives employing diaryliodonium salts as the arylation agents was explored. Consequently, the Scholl reaction was utilized to cyclize the product, yielding 21 varieties of multifunctional triphenylene derivatives. The maximum yield achieved through this two-step process was 94 %, offering an efficient synthesis route for the production of multi-substituted

  探索了一种使用二芳基碘鎓盐作为芳基化剂的氨基甲酸酯导向的联苯衍生物-C-H键芳基化的新方法。因此，利用Scholl反应将产物环化，得到21种多官能苯并菲衍生物。通过该两步工艺实现的最大产率为 94%，为生产多取代苯并菲衍生物提供了一条有效的合成路线。
• Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: XI. Preparation, properties, and prediction of mesomorphism in mixed-substituted phthalocyanines containing aryloxy and benzotriazole fragments
  作者：S. A. Znoiko、O. B. Akopova、N. V. Bumbina、N. V. Usoltseva、V. E. Maizlish、G. P. Shaposhnikov、I. G. Abramov

  DOI：10.1134/s1070363214040185

  日期：2014.4

  Stepwise nucleophilic substitution of bromine and nitro group in 4-bromo-5-nitrophthalodinitrile has led to a series of phthalonitriles containing benzotriazole and aryloxy fragments; basing on them, the mixed-substituted phthalocyanines have been prepared. The spectral properties of products have been studied. According to simulation of columnar mesomorphism only one of the products is not capable of mesomorphism characteristic of discotic mesogens; the result has been confirmed with the experiment.