allyl 4-acetylbenzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: allyl 4-acetylbenzoate
• 英文别名: prop-2-enyl 4-acetylbenzoate
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: JKOPDTLNZSTUIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  allyl 4-acetylbenzoate 在 methyl N-formyl-α'-(2,4,6-triethylphenyl)-L-proline 、 三氯硅烷 作用下， 以 氯仿 为溶剂， 反应 6.0h， 以93%的产率得到(R)-1-(p-allyloxycarbonylphenyl)ethanol
  参考文献：
  名称：

  New Efficient Organic Activators for Highly Enantioselective Reduction of Aromatic Ketones by Trichlorosilane

  摘要：

  Aryl ketones were reduced to the corresponding alcohols with excellent enantioselectivity (up to 99.7% ee) by Cl3SiH in the presence of a catalytic amount of N-formyl-alpha '-(2,4,6-triethylphenyl)-L-proline as an activator. Both carboxyl group at the alpha-position of the activator and 2,4,6-triethylphenyl group at the alpha '-position were critical for the high enantioselectivity.

  DOI：

  10.1021/ol0613822
• 作为产物：
  描述：

  1-苯基-3-丁烯-1-醇 、 4-乙酰基苯甲酸 在 palladium diacetate 、 silver carbonate 作用下， 以 邻二氯苯 为溶剂， 反应 24.0h， 以74%的产率得到allyl 4-acetylbenzoate
  参考文献：
  名称：

  Palladium-Catalyzed Allylic Esterification via C–C Bond Cleavage of a Secondary Homoallyl Alcohol

  摘要：

  Palladium-catalyzed allylic esterifications of secondary homoallyl alcohols with acids via sequential retro-allylation and esterification are demonstrated, affording the corresponding allyl ester in up to 99% yield. The electron effect of the substituent of the secondary alcohol was found to be crucial to the selective C-C bond cleavage.

  DOI：

  10.1021/ol501887a

文献信息

• Di(aromatic) compounds and their use in human and veterinary medicine
  申请人：Centre International de Recherches Dermatologiques Galderma (Cird

  公开号：US05387594A1

  公开（公告）日：1995-02-07

  Di(aromatic) compounds corresponding to the following formula: ##STR1## in which: Ar represents either ##STR2## n=1 or 2 or: ##STR3## X represents a divalent radical, Z represents O, S or a divalent radical, and R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 represent a hydrogen atom or various organic radicals, and the salts of the compounds of formula (I) when R.sub.1 is a carboxylic acid function. Use in human and veterinary medicine and in cosmetics.

  对应以下公式的二芳基化合物：##STR1## 其中：Ar代表##STR2## n=1或2或：##STR3## X代表二价基团，Z代表O、S或二价基团，R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.5代表氢原子或各种有机基团，以及当R.sub.1是羧酸功能时，公式（I）化合物的盐。用于人类和兽医学以及化妆品。
• [1+1+1] Cyclotrimerization for the Synthesis of Cyclopropanes
  作者：Srimanta Manna、Andrey P. Antonchick

  DOI：10.1002/anie.201600807

  日期：2016.4.18

  The synthesis of small rings by functionalization of C(sp(3) )-H bonds remains a great challenge. We report for the first time a copper-catalyzed [1+1+1] cyclotrimerization of acetophenone derivatives under mild reaction conditions. The reaction has a broad scope for the stereoselective synthesis of cyclopropanes by trimerization of acetophenone. The developed transformation is based on an extraordinary

  通过功能化的C（sp（3））-H键合成小环仍然是一个巨大的挑战。我们首次报告在温和的反应条件下铜催化的苯乙酮衍生物的[1 + 1 + 1]环三聚。该反应对于通过苯乙酮的三聚来立体选择性地合成环丙烷具有广阔的范围。所开发的转化基于非凡的铜催化级联过程，该过程允许通过C（sp（3））-H键的官能团的环三聚作用首次获得饱和的碳环。级联的六倍C（sp（3））-H键功能化允许以高度立体选择性的方式合成环丙烷。
• CRYSTAL OF CYCLIC PHOSPHONIC ACID SODIUM SALT AND METHOD FOR MANUFACTURING SAME
  申请人：OTSUKA CHEMICAL CO., LTD.

  公开号：US20170233421A1

  公开（公告）日：2017-08-17

  An object of the present invention is to provide a crystal of a cyclic phosphonic acid sodium salt (2ccPA) with high purity and excellent storage stability and a method for producing the crystal. The present invention provides a crystal of a cyclic phosphonic acid sodium salt (2ccPA) represented by formula (1):

  本发明的目的是提供一种具有高纯度和优异储存稳定性的环磷酸钠盐晶体（2ccPA）以及制备该晶体的方法。本发明提供了一种由化学式（1）表示的环磷酸钠盐（2ccPA）的晶体：
• Palladium‐Catalyzed Isocyanide Insertion with Allylic Esters: Synthesis of <i>N</i> ‐(But‐2‐enoyl)‐ <i>N</i> ‐( <i>tert</i> ‐butyl)benzamide Derivatives <i>via</i> Intramolecular Acyl Transfer Termination
  作者：Si Chen、Wan‐Xu Wei、Jia Wang、Yu Xia、Yi Shen、Xin‐Xing Wu、Huanwang Jing、Yong‐Min Liang

  DOI：10.1002/adsc.201700765

  日期：2017.10.25

  reaction via the palladium-catalyzed insertion of isocyanide has been established. Isocyanides were inserted into C−O bond under mild conditions, using the readily available allyl ester as the starting materials. In addition, the intramolecular acyl transfer from the ester group oxygen atom to the isocyanide nitrogen atom afforded imide derivatives in moderate to excellent yields. Additionally, this

  已经建立了经由钯催化的异氰酸酯插入的新颖且前所未有的分子内酰基转移反应。使用容易获得的烯丙基酯作为起始原料，在温和的条件下将异氰酸酯插入到C-O键中。另外，从酯基团氧原子到异氰酸酯氮原子的分子内酰基转移以中等至优异的产率提供了酰亚胺衍生物。此外，此转换已被验证为具有操作简单的条件和出色的官能团兼容性。
• Crystal of cyclic phosphonic acid sodium salt and method for manufacturing same
  申请人：OTSUKA CHEMICAL CO., LTD.

  公开号：US10385081B2

  公开（公告）日：2019-08-20

  An object of the present invention is to provide a crystal of a cyclic phosphonic acid sodium salt (2ccPA) with high purity and excellent storage stability and a method for producing the crystal. The present invention provides a crystal of a cyclic phosphonic acid sodium salt (2ccPA) represented by formula (1):

  本发明的目的是提供一种纯度高、贮存稳定性好的环膦酸钠（2ccPA）晶体及其生产方法。本发明提供了一种由式（1）表示的环膦酸钠（2ccPA）晶体：