2-乙基己酸-1-甲基乙酯 | 67024-46-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-乙基己酸-1-甲基乙酯
• 英文名称: isopropyl 2-ethylhexanoate
• 英文别名: propan-2-yl 2-ethylhexanoate
• CAS: 67024-46-8
• 化学式: C₁₁H₂₂O₂
• 分子量: 186.294
• InChiKey: KWJPCZGVGLPKMD-UHFFFAOYSA-N

物化性质

• 沸点：
  198.3℃ at 101.325kPa
• 密度：
  0.85 at 20℃
• LogP：
  4.4
• 物理描述：
  Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P501,P240,P210,P233,P243,P241,P242,P264,P280,P370+P378,P337+P313,P305+P351+P338,P362+P364,P303+P361+P353,P332+P313,P403+P235
• 危险品运输编号：
  1993
• 危险性描述：
  H315,H319,H225

反应信息

• 作为产物：
  描述：

  2-乙基-己酸稀土盐 在 N-甲基吗啉 、 magnesium bromide 作用下， 以 二氯甲烷 为溶剂， 反应 98.0h， 生成 2-乙基己酸-1-甲基乙酯
  参考文献：
  名称：

  2-Acyloxy-4,6-dimethoxy-1,3,5-triazine - A New Reagent for Ester Synthesis

  摘要：

  由羧酸和2-氯-4,6-二甲氧基-1,3,5-三嗪反应得到的2-酰氧基-4,6-二甲氧基-1,3,5-三嗪被用作酰化剂，用于从伯醇、仲醇和叔醇合成酯。由于酰化条件温和，该方法可以应用于不稳定的醇与芳香酸和脂肪酸（包括α-支链酸）的良好产率的酯化反应中。

  DOI：

  10.1055/s-1999-3448

文献信息

• 2-Acyloxy-4,6-dimethoxy-1,3,5-triazine - A New Reagent for Ester Synthesis
  作者：Janina E. Kamińska、Zbigniew J. Kamiński、Józef Góra

  DOI：10.1055/s-1999-3448

  日期：1999.4

  2-Acyloxy-4,6-dimethoxy-1,3,5-triazines obtained in reaction between carboxylic acid and 2-chloro-4,6-dimethoxy-1,3,5-triazine were used as acylating agents for the synthesis of esters from primary, secondary, and tertiary alcohols. Because of mild acylation conditions the method could be applied to esterification of labile alcohols with aromatic and aliphatic (also α-branched) acids in good yields.

  由羧酸和2-氯-4,6-二甲氧基-1,3,5-三嗪反应得到的2-酰氧基-4,6-二甲氧基-1,3,5-三嗪被用作酰化剂，用于从伯醇、仲醇和叔醇合成酯。由于酰化条件温和，该方法可以应用于不稳定的醇与芳香酸和脂肪酸（包括α-支链酸）的良好产率的酯化反应中。
• N‐Heterocyclic Carbene/Carboxylic Acid Co‐Catalysis Enables Oxidative Esterification of Demanding Aldehydes/Enals, at Low Catalyst Loading
  作者：Wacharee Harnying、Panyapon Sudkaow、Animesh Biswas、Albrecht Berkessel

  DOI：10.1002/anie.202104712

  日期：2021.9

  carboxylic acids, such as benzoic acid, boost the activity of N-heterocyclic carbene (NHC) catalysts in the oxidative esterification of aldehydes. A simple and efficient protocol for the transformation of a wide range of sterically hindered α- and β-substituted aliphatic aldehydes/enals, catalyzed by a novel and readily accessible N-Mes-/N-2,4,6-trichlorophenyl 1,2,4-triazolium salt, and benzoic acid as co-catalyst

  我们报告发现简单的羧酸，如苯甲酸，可以提高 N-杂环卡宾 (NHC) 催化剂在醛的氧化酯化中的活性。一种简单有效的转化各种位阻α-和β-取代脂肪醛/烯醛的简单有效方案，由一种新型且易于获得的N-Mes-/N-2,4,6-三氯苯基1,2催化,4-三唑鎓盐和苯甲酸作为助催化剂被开发出来。一系列迄今为止不适合 NHC 催化酯化的 α/β-取代的脂肪族醛/烯醛可以在 0.02-1.0 mol% 的典型催化剂负载下反应。对于苯甲醛，即使是 0.005 mol% 的 NHC 催化剂也证明是足够的：NHC 催化中达到的最低值。
• Synthesis of Carbonate Derivatives and Derived Cetane Number for the Use of Diesel Additives
  作者：Chang-Yong Cho、Keun-Woo Chung、Young-Wun Kim、Yeong-Joon Kim

  DOI：10.5012/jkcs.2010.54.02.234

  日期：2010.4.20

  경유 첨가제로 사용할 수 있는 카보네이트 유도체를 합성하고 그들의 DCN 향상 효과를 살펴보았다. 1,2-글리세롤 카보네이트와 긴 알킬그룹을 가지는 지방산을 반응시켜 경유와 구조적으로 유사한 화합물을 얻었다. 경유에 대한 용해도를 증가시키기 위해 긴 체인 중간에 이중 결합을 도입하거나 카보닐 그룹의 알파 위치에 알킬기를 도입하였다. ASTM 방법을 통하여 측정한 이들의 DCN 증가 정도는 ~1 정도였으며 이 결과는 카보네이트 유도체 화합물이 연료 첨가제로서 사용이 가능하다는 것을 보여주고 있다. Carbonate derivatives were synthesized for the use of diesel additives and the derived cetane numbers of the derivatives were measured. Some carbonate ester derivatives were synthesized from 1,2-glycerol carbonate and long alkyl chain fatty acids. To improve the solubility, we introduced unsaturated groups into aliphatic carbons and alkyl group into $\alpha}$-carbon to the carbonyl group. The derived cetane numbers obtained from ASTM method were increased up to 1.0, which means some carbonate derivatives could be potential diesel additives.

  合成了可用作柴油添加剂的碳酸酯衍生物，并考察了它们的十六烷值增强效果。通过1,2-甘油碳酸酯和长链脂肪酸反应，得到了与柴油结构类似的化合物。为了增加其在柴油中的溶解度，我们在长链中间引入了不饱和键或在羰基的α碳原子上引入了烷基。通过ASTM方法测得这些化合物的十六烷值提升幅度约为1，这表明某些碳酸酯衍生物可能是潜在的柴油添加剂。
• Rhenium Complex as a Useful Catalyst for Acylative Cleavage of Ethers
  作者：Yutaka Nishiyama、Rui Umeda、Kenta Kaiba、Toshimasa Tanaka、Yuuki Takahashi、Takashi Nishimura

  DOI：10.1055/s-0030-1259043

  日期：2010.12

  It was found that a rhenium complex such as ReBr(CO) 5 acts as an efficient catalyst for the acylative cleavage of the carbonoxygen bond of ethers with acyl chloride, giving the corresponding esters in moderate to good yields.

  发现铼络合物如 ReBr(CO) 5 可作为有效的催化剂，用于酰氯酰氯裂解醚的碳氧键，从而以中等至良好的产率得到相应的酯。
• ZINC OXIDE FILM-FORMING COMPOSITION, ZINC OXIDE FILM PRODUCTION METHOD, AND ZINC COMPOUND
  申请人：Adeka Corporation

  公开号：US20130323413A1

  公开（公告）日：2013-12-05

  Disclosed are a composition for forming a zinc oxide-based film, said composition containing, as an essential component, a zinc compound represented by the following formula (1): wherein R 1 and R 2 mutually independently represent an alkyl group having 1 to 4 carbon atoms, a process for producing the zinc oxide-based film, and the zinc compound. The composition makes it possible to form a high-quality zinc oxide-based film, which has transparency, homogeneity and electrical conductivity, at a low temperature of 300° C. or lower.

  揭示了一种形成氧化锌基膜的组合物，所述组合物包含以下式（1）所表示的锌化合物作为必要组分：其中R1和R2相互独立地表示具有1至4个碳原子的烷基基团，以及制备氧化锌基膜的工艺和锌化合物。该组合物使得能够在300°C或更低的低温下形成具有透明性、均匀性和电导率的高质量氧化锌基膜。