1,3-二乙酰氧基-3-甲基-丁烷 | 5205-15-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,3-二乙酰氧基-3-甲基-丁烷
• 英文名称: 3-methylbutane-1,3-diyl diacetate
• 英文别名: 1,3-Diacetoxy-3-methyl-butan；3-Methyl-1,3-butandiol-diacetat；3-Methyl-butan-diol-(1,3)-diacetat；1,3-diacetoxy-3-methyl-butane；1,3-Butanediol, 3-methyl-, 1,3-diacetate；(3-acetyloxy-3-methylbutyl) acetate
• CAS: 5205-15-2
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: JTGQWSCMUNTKMC-UHFFFAOYSA-N

物化性质

• 沸点：
  84-107 °C(Press: 10 Torr)
• 密度：
  1.0189 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-二乙酰氧基-3-甲基-丁烷 在 氢氧化钾 作用下， 生成 3-甲基-3-丁烯-1-醇
  参考文献：
  名称：

  Eggerer; Lynen, Justus Liebigs Annalen der Chemie, 1960, vol. 630, p. 58,70

  摘要：

  DOI：
• 作为产物：
  描述：

  天然橡胶 在 盐酸 、 sodium sulfate 作用下， 生成 1,3-二乙酰氧基-3-甲基-丁烷
  参考文献：
  名称：

  Chemical process and product

  摘要：

  公开号：

  US02376396A1

文献信息

• Selective acylation of a sterically hindered hydroxyl group of unsymmetrical diols containing a primary hydroxyl group such as 1,5-hexanediol in the presence of silica gel with acetyl chloride
  作者：Haruo Ogawa、Yuko Ide、Ryoichi Honda、Teiji Chihara

  DOI：10.1002/poc.622

  日期：2003.6

  selectively formed in the presence of silica gel with acetyl chloride by refluxing a suspension of unsymmetrical diols containing a primary hydroxyl group such as 1,5-hexanediol preadsorbed on silica gel. Such regioselectivity was observed through preferential adsorption via a primary hydroxyl group of the diols. Copyright © 2003 John Wiley & Sons, Ltd.

  在硅胶与乙酰氯的存在下，通过回流预吸附在硅胶上的含伯羟基的不对称二醇（如1,5-己二醇）的悬浮液，选择性地形成受阻更大的单乙酸酯。通过经由二醇的伯羟基的优先吸附观察到这种区域选择性。版权所有©2003 John Wiley＆Sons，Ltd.
• TRANSESTERIFICATION PROCESS USING MIXED SALT ACETYLACETONATES CATALYSTS
  申请人：Goossens Thomas Peter Anne

  公开号：US20130090492A1

  公开（公告）日：2013-04-11

  This invention is directed to a general catalyst of high activity and selectivity for the production of a variety of esters, particularly acrylate and methacrylate-based esters, by a transesterification reaction. This objective is achieved by reaction of an ester of a carboxylic or a carbonic acid, in particular of a saturated or unsaturated, typically, a 3 to 4 carbon atom carboxylic acid; with an alcohol in the presence of a catalyst comprising the combination of a metal 1,3-dicarbonyl complex (pref. Zn or Fe acetylacetonate) and a salt, in particular an inorganic salt, pref. ZnCl2, LiCI, NaCI, NH4CI or Lil. These catalysts are prepared from readily available starting materials within the reaction medium without the need for isolation (in-situ preparation).

  这项发明针对一种高活性和选择性的通用催化剂，用于通过酯交换反应生产各种酯类，特别是丙烯酸酯和甲基丙烯酸酯。该目标通过在存在催化剂的情况下，将羧酸酯或碳酸酯的酯，特别是饱和或不饱和的、通常为3到4个碳原子的羧酸酯；与醇反应来实现。催化剂包括金属1,3-二羰基配合物（首选Zn或Fe乙酰丙酮酸盐）和盐的组合，特别是无机盐，首选ZnCl2，LiCl，NaCl，NH4Cl或I2。这些催化剂是在反应介质中从易得的起始物质制备而成，无需分离（原位制备）。
• Synthesis and evaluation of 1,1,7,7-tetramethyl-9-azajulolidine (TMAJ) as a highly active derivative of N,N-dimethylaminopyridine
  作者：Tomohiro Tsutsumi、Arisa Saitoh、Tomoyo Kasai、MengYue Chu、Sangita Karanjit、Atsushi Nakayama、Kosuke Namba

  DOI：10.1016/j.tetlet.2020.152047

  日期：2020.6

  1,1,7,7-Tetramethyl-9-azajulolidine (TMAJ), which theoretical studies have suggested as a highly active DMAP analog, was synthesized for the first time. The catalytic activity of TMAJ was confirmed by the acetylation reactions of various tert-alcohols. TMAJ showed much higher catalytic activity than DMAP and one of the highest activity levels among the conventional DMAP analogs. These experimental results were in good agreement with the previous theoretical studies. (C) 2020 Elsevier Ltd. All rights reserved.
• A Highly Selective, High-Speed, and Hydrolysis-Free O-Acylation in Subcritical Water in the Absence of a Catalyst
  作者：Masahiro Sato、Keiichiro Matsushima、Hajime Kawanami、Yutaka Ikuhsima

  DOI：10.1002/anie.200700180

  日期：2007.8.20
• Maguet,L.; Lerer,M., Bulletin de la Societe Chimique de France, 1965, p. 3262 - 3266
  作者：Maguet,L.、Lerer,M.

  DOI：——

  日期：——