1-(3-羟基-5-甲基-2-噻吩)乙基酮 | 133860-42-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-羟基-5-甲基-2-噻吩)乙基酮
• 中文别名: 1-(3-羟基-5-甲基-2-噻吩基)乙酮；环庚酮，6-甲基-2,4-双(1-甲基亚乙基)-(9CI)
• 英文名称: 1-(3-hydroxy-5-methyl-2-thienyl)ethanone
• 英文别名: 1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
• CAS: 133860-42-1
• 化学式: C₇H₈O₂S
• 分子量: 156.205
• InChiKey: IOOPSZCABYNBDZ-UHFFFAOYSA-N

物化性质

• LogP：
  2.01
• 物理描述：
  White, cream-coloured solid; Meaty, cooked brown or roasted aroma
• 溶解度：
  Slightly soluble in water

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-羟基-5-甲基-2-噻吩)乙基酮 在 sodium hydride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二甲基亚砜 为溶剂， 25.0 ℃ 、266.64 Pa 条件下， 反应 192.0h， 生成 7-Hydroxy-3-methyl-5-oxo-5H-thieno[3,2-b]pyran-6-carboxylic acid (4-trifluoromethylsulfanyl-phenyl)-amide
  参考文献：
  名称：

  Synthesis and Anthelmintic Activity of 7-Hydroxy- 5-oxo-5H-thieno[3,2-b]pyran-6-carboxanilides and -6-thiocarboxanilides

  摘要：

  7-Hydroxy-5-oxo-5H-thieno [3,2-b]pyran-6-carboxanilides and -6-thiocarboxanilides represent a novel series of anthelmintic compounds, with broad-spectrum activity against important parasitic nematodes in sheep and dogs. In particular, an improved efficacy against Trichostrongylus colubriformis in sheep over the related 3-carbamoyl-4-hydroxycoumarins has been noted. New synthetic routes to the key intermediate, 7-hydroxythieno[3,2-b]pyran-5-one, have been developed.

  DOI：

  10.1002/(sici)1096-9063(199612)48:4<351::aid-ps485>3.0.co;2-t
• 作为产物：
  描述：

  在 磺酰氯 、 sodium methylate 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 1-(3-羟基-5-甲基-2-噻吩)乙基酮
  参考文献：
  名称：

  Synthesis and Anthelmintic Activity of 7-Hydroxy- 5-oxo-5H-thieno[3,2-b]pyran-6-carboxanilides and -6-thiocarboxanilides

  摘要：

  7-Hydroxy-5-oxo-5H-thieno [3,2-b]pyran-6-carboxanilides and -6-thiocarboxanilides represent a novel series of anthelmintic compounds, with broad-spectrum activity against important parasitic nematodes in sheep and dogs. In particular, an improved efficacy against Trichostrongylus colubriformis in sheep over the related 3-carbamoyl-4-hydroxycoumarins has been noted. New synthetic routes to the key intermediate, 7-hydroxythieno[3,2-b]pyran-5-one, have been developed.

  DOI：

  10.1002/(sici)1096-9063(199612)48:4<351::aid-ps485>3.0.co;2-t

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。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：Brenchley Guy

  公开号：US20110190507A1

  公开（公告）日：2011-08-04

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising said compounds and methods of using the compounds and compositions in the treatment of various disease, conditions, or disorders. The invention also relates to processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还涉及包括该化合物的药学上可接受的组合物以及使用该化合物和组合物治疗各种疾病、病况或障碍的方法。本发明还涉及制备本发明化合物的过程。
• Thiophene-carboxamides useful as inhibitors of protein kinases
  申请人：Brenchley Guy

  公开号：US20070219205A1

  公开（公告）日：2007-09-20

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物，并提供了使用该组合物治疗各种疾病、病况或疾患的方法。本发明还提供了制备发明化合物的方法。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。