2-乙基戊酸甲酯 | 816-16-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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-乙基戊酸甲酯
• 英文名称: 2-ethylpentansaeuremethylester
• 英文别名: 2-Ethyl-valeriansaeure-methylester；Methyl 2-ethylpentanoate
• CAS: 816-16-0
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: IVNZXKXOTJLKHM-UHFFFAOYSA-N

物化性质

• 保留指数：
  884

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2-乙基戊酸甲酯 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2-乙基-1-戊醇
  参考文献：
  名称：

  Meakin et al., Journal of Pharmacy and Pharmacology, 1959, vol. 11, p. 540,545

  摘要：

  DOI：
• 作为产物：
  描述：

  重氮甲烷 、 Alpha-乙基戊酸 在 乙醚 作用下， 生成 2-乙基戊酸甲酯
  参考文献：
  名称：

  Meakin et al., Journal of Pharmacy and Pharmacology, 1959, vol. 11, p. 540,545

  摘要：

  DOI：

文献信息

• Palladium-Catalyzed Carbonylation of<i>sec</i>- and<i>tert</i>-Alcohols
  作者：Kaiwu Dong、Rui Sang、Jie Liu、Rauf Razzaq、Robert Franke、Ralf Jackstell、Matthias Beller

  DOI：10.1002/anie.201701950

  日期：2017.5.22

  A general palladium-catalyzed synthesis of linear esters directly from sec- and tert-alcohols is described. Compared to the classic Koch–Haaf reaction, which leads to branched products, this new transformation gives the corresponding linear esters in high yields and selectivity. Key for this protocol is the use of an advanced palladium catalyst system with L2 (pytbpx) as the ligand. A variety of aliphatic

  直接从直链酯的一般钯催化合成的仲-和叔-醇进行说明。与导致分支产物的经典科赫-哈夫反应相比，这种新的转化以高收率和选择性提供了相应的线性酯。该协议的关键是使用具有L2（py t bpx）作为配体的高级钯催化剂体系。可以直接使用多种脂族和苄醇，基准反应的催化剂效率非常出色（周转数高达89 000）。
• Tuning the regioselectivity of (benzimidazolylmethyl)amine palladium(II) complexes in the methoxycarbonylation of hexenes and octenes
  作者：Thandeka A. Tshabalala、Stephen O. Ojwach

  DOI：10.1007/s11243-018-0222-8

  日期：2018.5

  of N-(1H-benzoimidazol-2-ylmethyl-2-methoxy)aniline (L1) and N-(1H-benzoimidazol-2-ylmethyl-2-bromo)aniline (L2) with p-TsOH, Pd(AOc)2 and two equivalents of PPh3 or PCy3 produced the corresponding palladium complexes, [Pd(L1)(OTs)(PPh3)] (1), [Pd(L2)(OTs)(PPh3)] (2) and [Pd(L1)(OTs)(PCy3)] (3), respectively, in good yields. The new palladium complexes 1–3 and the previously reported complexes [Pd(L1)ClMe]

  N-(1H-苯并咪唑-2-基甲基-2-甲氧基)苯胺 (L1) 和 N-(1H-苯并咪唑-2-基甲基-2-溴)苯胺 (L2) 与 p-TsOH、Pd(AOc) 的反应2 和两当量的 PPh3 或 PCy3 产生相应的钯配合物，[Pd(L1)(OTs)(PPh3)] (1), [Pd(L2)(OTs)(PPh3)] (2) 和 [Pd(L1) )(OTs)(PCy3)] (3) 分别具有良好的产率。新的钯配合物 1-3 和先前报道的配合物 [Pd(L1)ClMe] (4) 和 [Pd(L2)ClMe] (5) 在末端和内烯烃的甲氧基羰基化中提供了活性催化剂，以产生支链和直链酯. 研究并报道了复杂结构、膦衍生物的性质、酸促进剂和烯烃底物对催化活性和选择性的影响。
• PROCESS FOR PREPARING ESTERS FROM FORMATES AND OLEFINICALLY UNSATURATED COMPOUNDS
  申请人：Franke Robert

  公开号：US20140309435A1

  公开（公告）日：2014-10-16

  The invention provides a process for preparing esters from formates and olefinically unsaturated compounds with catalysts based on palladium compounds. In addition, the invention discloses a polyphasic reaction mixture and nonyl methyl ester mixtures prepared by the process according to the invention.

  该发明提供了一种利用基于钯化合物的催化剂从甲酸酯和烯烃不饱和化合物制备酯的方法。此外，该发明揭示了一种多相反应混合物和根据该发明所述方法制备的壬基甲酸酯混合物。
• METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE
  申请人：API Corporation

  公开号：US20160083341A1

  公开（公告）日：2016-03-24

  According to the present invention, it becomes possible to perform a process for converting into an α-substituted cysteine represented by general formula (1) or a salt thereof at low cost and on an industrial scale by employing a process that is routed through a compound represented by general formula (3) to a compound represented by general formula (6). Particularly, by employing a process that is routed through a compound represented by general formula (7-2), it becomes possible to detach a tert-butyl protection group in a simple manner and to produce the compound represented by general formula (1) with high purity. Furthermore, by employing a process that is routed through tert-butylthiomethanol or a process that is routed through a compound represented by general formula (9), it becomes possible to produce a compound represented by general formula (2) without generating bischloromethylether that is an oncogenic substance. In the production of an α-substituted-D-cysteine or a salt thereof, it becomes possible to perform a process for converting the compound represented by general formula (2) into a compound represented by general formula (3S) in one step by allowing an enzyme or the like to act on the compound represented by general formula (2).

  根据本发明，通过采用经由一种化合物（通式（3）表示）到一种通式（6）表示的化合物的过程，可以以低成本和工业化规模进行将其转化为通式（1）表示的α-取代半胱氨酸或其盐的过程。特别是，通过采用经由一种通式（7-2）表示的化合物的过程，可以简单地去除叔丁基保护基，并以高纯度生产通式（1）表示的化合物。此外，通过采用经由叔丁基硫代甲醇或经由一种通式（9）表示的化合物的过程，可以生产通式（2）表示的化合物，而不产生致癌物质双氯甲醚。在生产α-取代-D-半胱氨酸或其盐时，可以通过允许酶或类似物作用于通式（2）表示的化合物，一步将其转化为通式（3S）表示的化合物。
• MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa
  申请人：Kallus Christopher

  公开号：US20110178130A1

  公开（公告）日：2011-07-21

  The invention relates to compounds of the formula (I) which are inhibitors of activated thrombin-activable fibrinolysis inhibitor. The compounds of the formula I are suitable for producing medicaments for prophylaxis, secondary prevention and treatment of one or more disorders associated with thromboses, embolisms, hypercoagulability or fibrotic changes.

  该发明涉及式(I)的化合物，这些化合物是激活的凝血酶可激活的纤溶抑制剂的抑制剂。式I的化合物适用于生产用于预防、次级预防和治疗与血栓形成、栓塞、高凝血性或纤维化变化相关的一个或多个疾病的药物。

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