甲基(5E)-7-甲基辛-5-烯酸酯 | 112375-53-8

• 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: 甲基(5E)-7-甲基辛-5-烯酸酯
• 英文名称: (E)-methyl 7-methyloct-5-enoate
• 英文别名: Methyl (E)-7-methyloct-5-enoate
• CAS: 112375-53-8
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: LQWSFKTUPQOUHH-FNORWQNLSA-N

物化性质

• 沸点：
  210.6±19.0 °C(Predicted)
• 密度：
  0.891±0.06 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：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  甲基(5E)-7-甲基辛-5-烯酸酯 在 palladium on activated charcoal 氢氧化钾 、 氯化亚砜 、 氢气 作用下， 以 乙醚 、 乙醇 为溶剂， 25.0~100.0 ℃ 、101.33 kPa 条件下， 反应 95.5h， 生成 降二氢辣椒碱
  参考文献：
  名称：

  Capsaicinoids: their separation, synthesis, and mutagenicity

  摘要：

  DOI：

  10.1021/jo00240a024
• 作为产物：
  描述：

  5-羟基戊酸甲酯 在 甲醇 、 sodium amalgam 、 sodium acetate 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 9.5h， 生成 甲基(5E)-7-甲基辛-5-烯酸酯
  参考文献：
  名称：

  Capsaicinoids: their separation, synthesis, and mutagenicity

  摘要：

  DOI：

  10.1021/jo00240a024

文献信息

• CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING
  申请人：Reiley Pharmaceuticals, Inc.

  公开号：US20150374858A1

  公开（公告）日：2015-12-31

  Conjugates derived from non-steroidal anti-inflammatory drugs (NSAIDs) and methods of use thereof are disclosed, useful for, inter alia, identifying and localizing the site of pathology and/or inflammation responsible for the sensation of pain in a patient; for identifying the sites of primary, secondary, benign, or malignant tumors; and for diagnosing infection or confirming or ruling out suspected infection. The NSAID-based conjugates contain an imaging moiety. The conjugates concentrate at sites of increased cyclooxygenase expression, thus revealing the sites of increased prostaglandin production, which is correlated with pain and inflammation, and correlated with tumor presence and/or location. Identifying areas of increased COX expressing can also aid in screening for infections.

  披露了来自非甾体抗炎药（NSAIDs）的衍生物及其使用方法，这对于识别和定位患者疼痛感觉的病理和/或炎症部位；识别原发、继发、良性或恶性肿瘤的部位；以及诊断感染或确认或排除疑似感染非常有用。基于NSAID的偶联物含有成像基团。这些偶联物在环氧化酶表达增加的部位富集，从而揭示了前列腺素产生增加的部位，这与疼痛和炎症有关，并与肿瘤存在和/或位置有关。识别COX表达增加的区域也有助于筛查感染。
• Enzymes in organic synthesis. 27. Lipase-Catalyzed Synthesis of (5R,6S)-6-Acetoxyalkan-5-olides - homologues of the mosquito oviposition attractant pheromone
  作者：B. Henkel、A. Kunath、Hans Schick

  DOI：10.1002/prac.19973390176

  日期：——

  Sixteen homologous (5R*,6S*)-6-hydroxyalkan-5-olides rac-5 and their acetoxy derivatives rac-6 were synthesized from the corresponding methyl (Z)-alk-5-enoates 3 by osmium(VIII) oxide catalyzed cis-hydroxylation to the dihydroxy esters rac-4 and hydrolysis of these esters followed by lactonization. Pancreatin-catalyzed lactonization of the dihydroxy esters rac-4 afforded enantiomerically enriched hydroxy lactones ent-5, five of which were obtained enantiomerically pure by recrystallization. Acetylation of the 6-hydroxyalkan-5-olides rac-5 by vinyl acetate catalyzed by the lipase SP 526 provided enantiomerically enriched 6-acetoxyalkan-5-olides 6 with an enantiomeric excess of more than 90% in nine cases. These compounds are known as mosquito oviposition attractant pheromone (6h) or its homologues.
• Total synthesis of (+)-epopromycin B and its analogues—studies on the inhibition of cellulose biosynthesis
  作者：Markus R Dobler

  DOI：10.1016/s0040-4039(00)01944-4

  日期：2001.1

  The described inhibition of the cellulose biosynthesis by epopromycin B prompted us to establish a short and efficient synthesis of the natural product, suitable for accessing a broad range of unnatural analogues in a multiparallel fashion. During the course of our synthesis the absolute configuration of (+)-epopromycin B could be determined. (C) 2000 Elsevier Science Ltd. All rights reserved.
• MARYANOFF, B. E.;DUHL-EMSWILER, B. A., TETRAHEDRON LETT., 1981, 22, N 42, 4185-4188
  作者：MARYANOFF, B. E.、DUHL-EMSWILER, B. A.

  DOI：——

  日期：——
• GANNETT, PETER M.;NAGEL, DONALD L.;REILLY, PAM J.;LAWSON, TERENCE;SHARPE,+, J. ORG. CHEM., 53,(1988) N 5, 1064-1071
  作者：GANNETT, PETER M.、NAGEL, DONALD L.、REILLY, PAM J.、LAWSON, TERENCE、SHARPE,+

  DOI：——

  日期：——