乙基3-(3-甲基苯基)丙酸酯 | 7297-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 乙基3-(3-甲基苯基)丙酸酯
• 中文别名: 丙酸3-(间甲苯基)乙酯
• 英文名称: ethyl 3-(3-methylphenyl)-propionate
• 英文别名: 3-(3-Methyl-phenyl)-propionsaeure-ethylester；m-Methylhydrocinnamatethylester；Ethyl 3-(3-methylphenyl)propanoate
• CAS: 7297-13-4
• 化学式: C₁₂H₁₆O₂
• mdl: MFCD07772952
• 分子量: 192.258
• InChiKey: PNUYNMNAQYRXAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 储存条件：
  室温

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  3-(m-甲基苯基)-1-丙醇	3-(3-methylphenyl)propan-1-ol	111171-94-9	C10H14O	150.221

反应信息

• 作为反应物：
  描述：

  乙基3-(3-甲基苯基)丙酸酯 在 lithium aluminium tetrahydride 、 水 、 氯化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 3-(m-甲基苯基)-1-丙醇
  参考文献：
  名称：

  EP1650202

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 3-(m-tolyl)acrylate 在 platinum(IV) oxide 氢气 作用下， 以 乙醇 为溶剂， 生成 乙基3-(3-甲基苯基)丙酸酯
  参考文献：
  名称：

  Inhibition of uridine phosphorylase: synthesis and structure-activity relationships of aryl-substituted 5-benzyluracils and 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils.

  摘要：

  A series of 1-[(2-hydroxyethoxy)methyl]-5-benzyluracils were synthesized and tested for inhibition of murine liver uridine phosphorylase (UrdPase). Inhibitors of UrdPase are reported to enhance the chemotherapeutic utility of 5-fluoro-2'-deoxyuridine and 5-fluorouracil and to ameliorate zidovudine-induced anemia in animal models. We prepared a series of 5-aryl-substituted analogues of 5-benzylacyclouridine (BAU), a good inhibitor of UrdPase (IC50 of 0.46 mu M), to develop a compound with enhanced potency and improved pharmacokinetics. The first phase of structure-activity relationship studies on a series of 32 aryl-substituted 5-benzyluracils found several 5-(3-alkoxybenzyl) analogues of 5-benzyluracil with enhanced potency. The acyclovir side chain, the (2-hydroxyethoxy)methyl group, was substituted on the more potent aryl-substituted 5-benzyluracils. The two most potent compounds, 10y (3-propoxy) and 10dd (3-sec-butoxy), were inhibitors of UrdPase with IC(50)s of 0.047 and 0.027 mu M, respectively. Six compounds were tested in vivo for effects on steady-state concentrations of circulating uridine in rats. Plasma uridine levels were elevated 3-9-fold by compound levels that ranged from 8 to 50 mu M.

  DOI：

  10.1021/jm00019a015

文献信息

• N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES
  申请人：Salvati Mark E.

  公开号：US20100041717A1

  公开（公告）日：2010-02-18

  Compounds of formula (Ia) and (Ib), wherein A, B, C, R 1 and R 14 are described herein.

  式(Ia)和(Ib)的化合物，其中A、B、C、R1和R14如本文所述。
• SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF
  申请人：UNIVERSITY OF TSUKUBA

  公开号：US20180179151A1

  公开（公告）日：2018-06-28

  The present invention aims to provide a novel low-molecular-weight compound exhibiting an orexin receptor agonist activity and expected to be useful as a prophylactic or therapeutic agent for narcolepsy and the like. The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the description, or a pharmaceutically acceptable acid addition salt thereof, which has an orexin receptor agonist activity, and an orexin receptor agonist containing the compound or a pharmaceutically acceptable acid addition salt thereof.

  本发明旨在提供一种新型低分子量化合物，表现出促进俄利班受体活性，并且预计可用作嗜睡症等疾病的预防或治疗药物。本发明提供一种由式(I)表示的化合物：其中每个符号如描述中定义，或其药用可接受的酸盐，具有促进俄利班受体活性，并且含有该化合物或其药用可接受的酸盐的俄利班受体激动剂。
• Novel Indoline Compounds
  申请人：LEBRETON Luc

  公开号：US20080119465A1

  公开（公告）日：2008-05-22

  Sulfonylindoline compounds of formula I, wherein R1 through R4, Y and Z have defined meanings, a process for preparation of such compounds, and the use as pharmaceutically active substances, particularly for the treatment or inhibition of neurodegeneration, cardiovascular disease, inflammatory disease, hypercholesterolemia, dyslipidemia, obesity or diabetes.

  公式I的磺胺基吲哚化合物，其中R1至R4，Y和Z具有定义的含义，一种制备这种化合物的过程，以及用作药用活性物质，特别用于治疗或抑制神经退行性疾病、心血管疾病、炎症性疾病、高胆固醇血症、血脂异常、肥胖或糖尿病。
• 3-Arylpropanoate Esters throughthe Palladium-Catalyzed Reaction of Aryl Halides with Acrolein DiethylAcetal
  作者：Sandro Cacchi、Gianfranco Battistuzzi、Giancarlo Fabrizi、Roberta Bernini

  DOI：10.1055/s-2003-39900

  日期：——

  The reaction of aryl halides with acrolein diethyl acetal in the presence of Pd(OAC) 2 , n-Bu 3 N, and n-Bu 4 NCl in DMF at 90°C affords ethyl 3-arylpropanoates. A variety of functional groups are tolerated in the aryl halides, including ether, aldehyde, ketone, ester, nitrile, and nitro groups. ortho-Substituents do not hamper the reaction. 3-Arylpropanoate esters were isolated in good to excellent

  在 Pd(OAC) 2 、n-Bu 3 N 和 n-Bu 4 NCl 的存在下，芳基卤化物与丙烯醛二乙基缩醛在 DMF 中在 90°C 下反应，得到 3-芳基丙酸乙酯。芳基卤化物中可以容忍多种官能团，包括醚、醛、酮、酯、腈和硝基。邻位取代基不妨碍反应。3-芳基丙酸酯与许多中性、富电子和缺电子的芳基碘化物和缺电子的芳基溴化物以良好到优异的产率分离。中性和富含电子的芳基溴化物以中等产率得到所需的酯。
• 4,5-dihydronaphtho[1,2-b]thiophene derivative
  申请人：Taguchi Minoru

  公开号：US20060189678A1

  公开（公告）日：2006-08-24

  A 4,5-dihydronaphtho[1,2-b]thiophene derivative expressed by the formula: (wherein R 1 is a C 1 to C 10 1-hydroxyalkyl group or a C 1 to C 10 acyl group, and R 2 and R 3 separately substitute in the 6-, 7-, 8-, or 9-positions, and are each independently a hydrogen atom, a halogen atom, a C 1 to C 10 alkyl group, a hydroxy group, a C 1 to C 10 alkoxy group, a C 1 to C 5 alkenyloxy group, a C 1 to C 5 alkynyloxy group, a benzyloxy group, or the like, provided that when R 1 is an acyl group and R 2 is a hydrogen atom, then R 3 is neither a hydrogen atom nor an acetyl group), or a pharmaceutically acceptable salt thereof This is a novel compound that is effective in reducing triglyceride levels in the liver and reducing blood glucose levels.

  一种由以下式子表示的4,5-二氢萘并[1,2-b]噻吩衍生物：（其中R1是C1到C10烷氧基烷基或C1到C10酰基基团，R2和R3分别取代6-，7-，8-或9-位置，并且分别独立地为氢原子，卤原子，C1到C10烷基，羟基，C1到C10烷氧基，C1到C5烯氧基，C1到C5炔氧基，苄氧基或类似物，但当R1为酰基基团且R2为氢原子时，R3既不是氢原子也不是乙酰基基团），或其药学上可接受的盐。这是一种新化合物，可有效降低肝脏中的三酰甘油水平和降低血糖水平。