4-甲基苯基戊酸酯 | 10415-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 4-甲基苯基戊酸酯
• 英文名称: p-tolyl valerate
• 英文别名: 4-methylphenyl pentanoate；Pentanoic acid, 4-methylphenyl ester；(4-methylphenyl) pentanoate
• CAS: 10415-86-8
• 化学式: C₁₂H₁₆O₂
• mdl: MFCD04152209
• 分子量: 192.258
• InChiKey: XDIFYXKFWPNGRV-UHFFFAOYSA-N

物化性质

• 溶解度：
  Insoluble in water, soluble in alcohol and oils.
• LogP：
  3.609 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915600000

反应信息

• 作为产物：
  描述：

  4-甲基苯戊酮 在 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以100%的产率得到4-甲基苯基戊酸酯
  参考文献：
  名称：

  Koch, Stacie S. Canan; Chamberlin, A. Richard, Synthetic Communications, 1989, vol. 19, # 5and6, p. 829 - 834

  摘要：

  DOI：

文献信息

• Rhodium-Catalyzed Carbonylative Coupling of Alkyl Halides with Phenols under Low CO Pressure
  作者：Han-Jun Ai、Hai Wang、Chong-Liang Li、Xiao-Feng Wu

  DOI：10.1021/acscatal.0c00933

  日期：2020.5.1

  A rhodium-catalyzed carbonylative transformation of alkyl halides under low pressure of CO has been developed. This robust catalyst system allows using phenols as the carbonylative coupling partner and, meanwhile, exhibits high functional group tolerance and good chemoselectivity. Substrates even with a large steric hindrance group or multiple reaction sites can be selectively converted into the desired

  已经开发了在CO的低压下铑催化烷基卤的羰基化转化。这种强大的催化剂体系允许使用酚类作为羰基偶合伴侣，同时具有较高的官能团耐受性和良好的化学选择性。甚至具有大的位阻基团或多个反应位点的底物也可以以良好或优异的产率选择性地转化为所需产物。进行了克级实验，并交付了几乎定量的产品。还进行了对照实验，并提出了可能的反应机理。
• Chromone fungicides
  申请人：Agrevo UK Limited

  公开号：US06034121A1

  公开（公告）日：2000-03-07

  Compounds of the formula ##STR1## where one of Z and Y is CO and the other is C--W--R.sup.2 and the dotted line indicates a double bond is present where necessary to meet valency requirements, W is O, S(O).sub.n, N(R.sup.3), N(R.sup.3)(R.sup.4), N(R.sup.3)O or ON(R.sup.3); R.sup.1 is hydrogen, or an optionally substituted alkyl, alkenyl, alkynyl, cycloalkyl, phenyl or heterocyclyl group; R.sup.2, R.sup.3 and R.sup.4, which may be the same or different, are as defined above for R.sup.1, or are acyl, or R.sup.2 and R.sup.3 or R.sup.2 and R.sup.4 or R.sup.3 and R.sup.4 together with the nitrogen or oxygen to which they are attached form an optionally substituted ring which may contain other hetero atoms; each X, which may be the same as or different from any other X, is halogen, CN, NO.sub.2, SF.sub.5, B(OH).sub.2, triakylsilyl or a group E, OE or S(O).sub.n E where E is a group as defined hereinbefore for R.sup.2 or is optionally substituted amino; or two adjacent groups X together with the atoms to which they are attached form an optionally substituted carbocyclic or heterocyclic ring; n is 0, 1 or 2; and p is 0 to 4 have fungicidal activity. Many of the compounds are novel.

  式为##STR1##的化合物，其中Z和Y中的一个是CO，另一个是C--W--R.sup.2，虚线表示必要时存在双键以满足化合价要求，W是O，S(O).sub.n，N(R.sup.3)，N(R.sup.3)(R.sup.4)，N(R.sup.3)O或ON(R.sup.3)；R.sup.1是氢，或者是可选择取代的烷基，烯基，炔基，环烷基，苯基或杂环基；R.sup.2，R.sup.3和R.sup.4，可以相同也可以不同，如上所定义的R.sup.1，或者是酰基，或者R.sup.2和R.sup.3或R.sup.2和R.sup.4或R.sup.3和R.sup.4与它们连接的氮或氧一起形成一个可选择取代的环，该环可能含有其他杂原子；每个X，可以与任何其他X相同或不同，是卤素，CN，NO.sub.2，SF.sub.5，B(OH).sub.2，三烷基硅基或者是一个E，OE或S(O).sub.n E基团，其中E是如上所定义的R.sup.2或者是可选择取代的氨基；或者两个相邻的X基团与它们连接的原子一起形成一个可选择取代的碳环或杂环；n为0，1或2；p为0到4具有杀真菌活性。其中许多化合物是新颖的。
• Photoinduced Specific Acylation of Phenolic Hydroxy Groups with Aldehydes
  作者：Tairin Kawasaki、Naoki Ishida、Masahiro Murakami

  DOI：10.1002/anie.202008897

  日期：2020.10.5

  specifically acylate phenolic hydroxyl groups through a radical pathway. When a mixture of an aldehyde and a phenol in ethyl acetate is irradiated with blue light in the presence of iridium and nickel bromide catalysts at ambient temperature, phenoxyl and acyl radicals are transiently generated in situ and cross‐couple to furnish an ester. Aliphatic hydroxy groups remain untouched under the reaction conditions

  据报道，一种方便的方法是通过自由基途径特异性地酰化酚羟基。当在室温下在铱和溴化镍催化剂的存在下，用蓝光照射醛和苯酚在乙酸乙酯中的混合物时，会在原位瞬间生成苯氧基和酰基自由基，并进行交叉偶合以提供酯。在反应条件下，脂肪族羟基保持不变。
• Composition and synthesis of new reagents for inhibition of HIV replication
  申请人：Rana M. Tariq

  公开号：US20070099919A1

  公开（公告）日：2007-05-03

  The present invention provides compounds and compositions for inhibiting Vif and methods for treating viral infection, e.g., HIV infection.

  本发明提供了用于抑制Vif的化合物和组合物，以及治疗病毒感染（例如HIV感染）的方法。
• CATALYST FOR ARYL ESTER PRODUCTION AND PROCESS FOR PRODUCING ARYL ESTER THEREWITH
  申请人：NIPPON SHOKUBAI CO., LTD.

  公开号：EP0685455A1

  公开（公告）日：1995-12-06

  A catalyst for aryl ester production, which contains a microporous material containing a Group IV metal element, is insoluble in reaction fluids and hence can be used as a heterogenous catalyst. Thus it can permit an aryl ester to be produced in a high yield in an industrially advantageous manner. An aryl ester is produced with this catalyst by the transesterification between an aromatic hydroxy compound and a carbonic ester or an aliphatic carboxylic ester, by the transesterification between a carbonic ester and an arylcarboxylic ester, by the disproportionation of an alkyl aryl carbonate through esterification, and so forth.

  一种用于生产芳基酯的催化剂含有一种含有第四族金属元素的微孔材料，它不溶于反应液，因此可用作异质催化剂。因此，它能以一种对工业有利的方式高产率地生产芳基酯。芳香族羟基化合物与碳酸酯或脂肪族羧酸酯之间的酯交换反应、碳酸酯与芳香族羧酸酯之间的酯交换反应、烷基芳基碳酸酯的酯化歧化反应等，都可以使用这种催化剂生产芳基酯。