1,3-Cyclooctadien-1-olacetat | 23346-37-4

• 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
• 英文名称: 1,3-Cyclooctadien-1-olacetat
• 英文别名: 1,3-Cyclooctadien-1-yl-acetat；[(1E,3Z)-cycloocta-1,3-dien-1-yl] acetate
• CAS: 23346-37-4
• 化学式: C₁₀H₁₄O₂
• 分子量: 166.22
• InChiKey: VSBSPOGOOWIRFZ-ZMSZASLQSA-N

物化性质

• 沸点：
  63-65 °C(Press: 4 Torr)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  cyclo-octa-2,4-dienyl acetate 、 1,3-Cyclooctadien-1-olacetat 、 3,5-Cyclooctadien-1-olacetat 、 氢化铝锂 生成 cis,cis-2,4-cyclooctadienol
  参考文献：
  名称：

  HANOLD, N.;MEIER, H., CHEM. BER., 1985, 118, N 1, 198-209

  摘要：

  DOI：
• 作为产物：
  描述：

  环辛二烯 、 乙酸酐 、 二氧化硒 生成 1,3-Cyclooctadien-1-olacetat
  参考文献：
  名称：

  HANOLD, N.;MEIER, H., CHEM. BER., 1985, 118, N 1, 198-209

  摘要：

  DOI：

文献信息

• Method for Producing Isononanoic Acid Esters, Starting from 2-Ethyl Hexanol
  申请人：Oxea GmbH

  公开号：US20150158805A1

  公开（公告）日：2015-06-11

  A Process for preparing carboxylic esters of a mixture of structurally branched C9 monocarboxylic acids proceeding from 2-ethylhexanol is characterized in that (a) 2-ethylhexanol is dehydrated to an octene mixture in the presence of a catalyst; (b) the octene mixture obtained in step a) is reacted in the presence of a transition metal compound of group VIII of the periodic table of the elements with carbon monoxide and hydrogen to give a mixture of isomeric isononanals; (c) the mixture of isomeric isononanals obtained in step b) is oxidized to a mixture of structurally branched C9 monocarboxylic acids; and (d) the mixture of structurally branched C9 monocarboxylic acids obtained in step c) is reacted with alcohols to give carboxylic esters.

  一种制备从2-乙基己醇出发的结构分支C9单羧酸酯混合物的方法，其特征在于 (a) 在催化剂存在下，将2-乙基己醇脱水成为辛烯混合物； (b) 在步骤a)中获得的辛烯混合物在元素周期表第VIII族的过渡金属化合物存在下与一氧化碳和氢反应，得到异辛醛的混合物； (c) 在步骤b)中获得的异辛醛混合物被氧化成结构分支的C9单羧酸的混合物；以及 (d) 在步骤c)中获得的结构分支C9单羧酸混合物与醇反应，得到羧酸酯。
• Method for Producing Isononanoic Acids from 2-Ethyl Hexanol
  申请人：Oxea GmbH

  公开号：US20150191410A1

  公开（公告）日：2015-07-09

  Process for preparing isononanoic acid proceeding from 2-ethylhexanol, characterized in that (a) 2-ethylhexanol is dehydrated to octene in the presence of a catalyst; (b) the octene obtained in step a) is reacted in the presence of a transition metal compound of group VIII of the periodic table of the elements with carbon monoxide and hydrogen to give isononanal; and (c) the isononanal obtained in step b) is oxidized to isononanoic acid.

  从2-乙基己醇制备异壬酸的过程，其特征在于：（a）在催化剂的存在下，将2-乙基己醇脱水成辛烯；（b）在步骤（a）中获得的辛烯在元素周期表第VIII族的过渡金属化合物存在下与一氧化碳和氢反应，生成异壬醛；（c）在步骤（b）中获得的异壬醛被氧化成异壬酸。
• Method for Producing 2-Methylbutyric Acid Having a reduced Content of 3-Methylbutyric Acid from the Secondary Flows Arising in the Production of Pentanoic Acids
  申请人：Oxea GmbH

  公开号：US20160264503A1

  公开（公告）日：2016-09-15

  A process for preparing 2-methylbutyric acid having a reduced content of 3-methylbutyric acid from the secondary streams obtained in the preparation of pentanoic acids, includes generating a stream enriched with 2-methylbutanal and 3-methyl-butanal. The stream enriched with 2-methylbutanal and 3-methylbutanal of step is reacted with formaldehyde. The reaction with formaldehyde is followed by removal of the organic phase and selective hydrogenation in the presence of a hydrogenation catalyst with hydrogen at elevated temperature and elevated pressure and, after removal of the hydrogenation catalyst, treatment of the hydrogenation output obtained with an oxidizing agent.

  一种制备含有较少3-甲基丁酸的2-甲基丁酸的方法，从制备戊酸的次生流中生成富含2-甲基丁醛和3-甲基丁醛的流。步骤中富含2-甲基丁醛和3-甲基丁醛的流与甲醛反应。甲醛反应后，有机相被去除，然后在氢化催化剂存在下，在高温高压氢气的条件下进行选择性加氢。在去除氢化催化剂后，用氧化剂处理得到的氢化产物。
• Hanold, Norbert; Meier, Herbert, Chemische Berichte, 1985, vol. 118, # 1, p. 198 - 209
  作者：Hanold, Norbert、Meier, Herbert

  DOI：——

  日期：——
• Method for Producing Isomeric Hexanoic Acids From the Subsidiary Flows Arising During the Production of Pentanals
  申请人：OXEA GMBH

  公开号：US20160280625A1

  公开（公告）日：2016-09-29

  A process for preparing isomeric hexanoic acids comprising 2-methylpentanoic acid from the secondary streams obtained in the preparation of pentanals, characterized in that a) a mixture comprising linear butenes is reacted to give a pentanal mixture; b) the mixture obtained in step a) is separated into a stream enriched with 2-methylbutanal and 3-methyl-butanal, and a stream enriched with n-pentanal; c) the stream enriched with 2-methylbutanal and 3-methylbutanal of step b) is reacted with formaldehyde; d) the reaction mixture obtained after step c) is selectively reacted to give a mixture comprising 2-methylbutanal and isomeric hexanals; e) the reaction mixture is separated into a stream enriched with 2-methylbutanal and a stream enriched with a mixture of isomeric hexanals; and f) the mixture of isomeric hexanals obtained in step e) is oxidized to a mixture of isomeric hexanoic acids comprising 2-methylpentanoic acid.