ethyl 2-hexenoate | 27829-71-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2-hexenoate
• 英文别名: (Z)-ethyl hex-2-enoate；ethyl (Z)-hex-2-enoate；(Z)-Hex-2-en-saeure-ethylester；Ethyl-cis-2-hexenoat；Ethyl-(Z)-2-Hexenoat；Ethyl (Z)-2-hexenoate
• CAS: 27829-71-6
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: SJRXWMQZUAOMRJ-SREVYHEPSA-N

物化性质

• LogP：
  2.910 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  ethyl 2-hexenoate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 51.0h， 生成 3-氨基己酸乙酯
  参考文献：
  名称：

  GABA-uptake inhibitors: construction of a general pharmacophore model and successful prediction of a new representative

  摘要：

  A model for the pharmacophore of GABA-uptake inhibitors was established using published structure-activity data and molecular modeling. The model accounted for the activities of different classes of GABA-uptake inhibitors. Analogues of guvacine substituted at position 6 were synthesized in order to confirm the model. 6-(3,3-Diphenylpropyl)guvacine (30f), which fit well with the pharmacophore, had an in vitro IC50 of 0.1-mu-M. This value is as good as those of the best GABA-uptake inhibitors known today.

  DOI：

  10.1021/jm00112a032
• 作为产物：
  描述：

  3-乙酰氧基己酸乙酯 生成 ethyl 2-hexenoate
  参考文献：
  名称：

  Prochazka,M.; Palecek,M., Collection of Czechoslovak Chemical Communications, 1970, vol. 35, p. 1399 - 1405

  摘要：

  DOI：

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• [EN] QUINAZOLINEDIONE CHYMASE INHIBITORS<br/>[FR] INHIBITEURS DE CHYMASE À BASE DE QUINAZOLINEDIONE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009023655A1

  公开（公告）日：2009-02-19

  Disclosed are small molecule inhibitors which are useful in treating various diseases and conditions involving Chymase.

  披露了一种小分子抑制剂，可用于治疗涉及Chymase的各种疾病和病况。
• N-acyl-5,5-dimethyl-oxazolidin-2-ones as latent aldehyde equivalents
  作者：Jordi Bach、Steven D. Bull、Stephen G. Davies、Rebecca L. Nicholson、Hitesh J. Sanganee、Andrew D. Smith

  DOI：10.1016/s0040-4039(99)01345-3

  日期：1999.9

  N-acyl-5,5-dimethyl-oxazolidin-2-ones can function as versatile latent aldehyde equivalents - reductive cleavage with DIBAL-H affords aldehydes in good yield, while tandem DIBAL-H/Wittig methodology affords α,β-unsaturated esters.

  N-酰基-5,5-二甲基恶唑烷-2-酮可作为通用的潜在醛当量-用DIBAL-H进行的还原裂解可提供高收率的醛类，而串联DIBAL-H / Wittig方法可提供α，β-不饱和酯类。
• Compounds
  申请人：Gore Paul Martin

  公开号：US20090270355A1

  公开（公告）日：2009-10-29

  The present invention relates to a compound which is N-(4-4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide and salts thereof, processes for its preparation, to compositions containing it and to its use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及一种化合物，即N-(4-4-[(6-丁基-8-喹啉基)氧基]-1-哌啶基}丁基)乙烷磺酰胺及其盐，以及其制备方法、含有该化合物的组合物，以及在治疗各种疾病（如过敏性鼻炎）中的用途。
• [EN] QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES<br/>[FR] DÉRIVÉS DE QUINOLÉINE UTILISÉS POUR TRAITER DES MALADIES INFLAMMATOIRES ET ALLERGIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2009050204A1

  公开（公告）日：2009-04-23

  The present invention relates to compounds of formula (I) and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及式(I)的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的应用。