(3,5-二甲基苯基)2,2-二甲基丙酸酯 | 61019-06-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: (3,5-二甲基苯基)2,2-二甲基丙酸酯
• 英文名称: 3,5-dimethylphenyl pivaloate
• 英文别名: Pivalinsaeure-3,5-dimethyl-phenylester；O-Pivaloyl-3,5-dimethylphenol；2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester；(3,5-dimethylphenyl) 2,2-dimethylpropanoate
• CAS: 61019-06-5
• 化学式: C₁₃H₁₈O₂
• mdl: MFCD25969915
• 分子量: 206.285
• InChiKey: UHUMTAJLAWWWEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3,5-二甲基苯基)2,2-二甲基丙酸酯 在 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 potassium tert-butylate 、 N,N-二异丙基乙胺 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 四氯化碳 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 265.5h， 生成 tert-butyl N-[[3-[3-(6-aminopurin-9-yl)propoxy]-5-[[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]phenyl]methyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
  参考文献：
  名称：

  Syntheses of nucleic acid mimics designed for metal-induced strand formation on DNA

  摘要：

  This paper describes design and syntheses of a new class of chelator-type nucleic acid mimics. Four nucleic acid mimics 7, 11, 15, 17 possess a nucleobase and two ethylenediamine moieties for intermolecular metal coordination. We expected that chelator-type nucleic acid mimics formed a strand in the presence of metal ion and then interacted with a single-stranded DNA. Efficient synthetic routes leading to the four nucleic acid analogues have been achieved via the key intermediate compound 5 which was derived from 3,5-dimethylphenol in five steps. Compound 7 was treated with zinc nitrate and Zn complex 8 was isolated as crystals. H-1 NMR study of Zn complex 8 in D2O showed the single-strand formation. Job plots showed that mixture of (dT)(70) with Zn complex 8 at 5degreesC reached a minimum absorbance at a mole ratio of 2:1, and the hypochromic effect showed the pi-pi stacking interaction between the nucleobases. Thermal denaturation study at 2:1 mole ratio of complexes between (dT)(70) and Zn complex 8 showed melting point at 27degreesC. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00203-x
• 作为产物：
  描述：

  三甲基乙酸酐 、 3,5-二甲基苯酚 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 (3,5-二甲基苯基)2,2-二甲基丙酸酯
  参考文献：
  名称：

  钴包覆的磁性纳米粒子上固定化Co（II）催化的游离酚的区域选择性邻-C H亚磺酰基化

  摘要：

  Fe 3 O 4 @SiO 2 [电子邮件保护] II是通过二氧化硅包覆的磁性纳米颗粒，脲三唑和CoCl 2制备的。这种有机-无机杂化复合物，使用新戊酸酐，K 2 S 2 O 8和PPh 3作为导向基团，对游离酚和萘的区域选择性邻亚磺酰化表现出良好至优异的催化活性。分别用作氧化剂和添加剂。通过使用不同的技术（例如FT-IR，TGA，DTG，TEM，SEM，EDS，ICP和VSM分析）对新合成的催化剂进行了全面表征。与用于C H键活化和官能化的昂贵过渡金属相比，钴具有竞争力的价格，可及性和较低的毒性构成了该方法的宝贵优势。而且，这种多相催化剂可以在五个循环后被磁回收和再利用而不会显着损失其催化活性。

  DOI：

  10.1016/j.mcat.2020.110772

文献信息

• Ni-Catalyzed α-arylation of esters and amides with phenol derivatives
  作者：Eva Koch、Ryosuke Takise、Armido Studer、Junichiro Yamaguchi、Kenichiro Itami

  DOI：10.1039/c4cc08426h

  日期：——

  alpha-arylation of esters and amides with phenol derivatives has been accomplished. In the presence of our unique nickel catalyst, prepared in situ from Ni(cod)2, 3,4-bis(dicyclohexylphosphino)thiophene (dcypt), and K3PO4, various esters and amides undergo alpha-arylation with O-arylpivalates or O-arylcarbamates to afford the corresponding coupling products. The thus obtained alpha-aryl esters and amides are useful

  酯和酰胺与酚衍生物的镍催化的α-芳基化反应已经完成。在我们独特的镍催化剂的存在下，该催化剂是由Ni（cod）2、3,4-双（二环己基膦基）噻吩（dcypt）和K3PO4原位制备的，各种酯和酰胺会与O-芳基新戊酸酯或O-芳基氨基甲酸酯得到相应的偶联产物。如此获得的α-芳基酯和酰胺是特权基序有用的前体，例如α-芳基羧酸和β-芳基胺。
• LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX
  申请人：NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY

  公开号：US20160074853A1

  公开（公告）日：2016-03-17

  An object of the present invention is to provide a method for directly performing arylation (particularly α-arylation) of carbonyl or thiocarbonyl compounds using a more inexpensive phenol derivative and nickel catalyst. Another object of the present invention is to provide a novel nickel catalyst that can be used in this method, and a novel ligand of the nickel catalyst. The novel compounds of the present invention are a compound having a diphosphine skeleton in which a five- or six-membered heterocyclic ring is substituted with two dialkylphosphines and/or dicycloalkylphosphines, or a salt thereof, and a compound having the diphosphine skeleton that is bound to nickel. Moreover, coupling reaction of a carbonyl compound and a phenol derivative can be advanced in the presence of a nickel compound having a monodentate or bidentate dialkylphosphine and/or dicycloalkylphosphine skeleton.

  本发明的一个目的是提供一种使用更便宜的酚衍生物和镍催化剂直接进行羟基化（尤其是α-羟基化）的醛或硫醛化合物的方法。本发明的另一个目的是提供一种可以用于该方法的新型镍催化剂，以及镍催化剂的新型配体。本发明的新化合物是一种含有二膦骨架的化合物，其中五元或六元杂环环被两个二烷基膦和/或二环烷基膦取代，或其盐，以及与镍结合的具有二膦骨架的化合物。此外，在存在具有一膦或二膦二烷基膦和/或二环烷基膦骨架的镍化合物的情况下，可以促进醛化合物和酚衍生物的偶联反应。
• K₂CO₃-promoted formation of aryl esters from primary aryl amides by the acyl–acyl exchange process
  作者：Yongjun Bian、Xingyu Qu

  DOI：10.1039/c6ob00187d

  日期：——

  A new acyl–acyl exchange reaction has been developed for the formation of aryl esters from primary aryl amides. The reaction could occur under mild reaction conditions with catalytic quantities of K2CO3, and could afford moderate to good yields of the desired products.

  已经开发了一种新的酰基-酰基交换反应，用于由伯芳基酰胺形成芳基酯。该反应可以在温和的反应条件下用催化量的K 2 CO 3进行，并且可以提供中等至良好产率的所需产物。
• Martin,R., Bulletin de la Societe Chimique de France, 1979, vol. <II>, p. 373 - 380
  作者：Martin,R.

  DOI：——

  日期：——
• BARRAU J.; BOUCHAUT M.; CASTEL A.; CAZES A.; DOUSSE G.; LAVAYSSIERE H.; R+, SYNTH. AND REACTIV. INORG. AND METAL-ORG. CHEM., 1979, 9, NO 3, 273-288
  作者：BARRAU J.、 BOUCHAUT M.、 CASTEL A.、 CAZES A.、 DOUSSE G.、 LAVAYSSIERE H.、 R+

  DOI：——

  日期：——