propanoate d'o-tolyle | 14617-90-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: propanoate d'o-tolyle
• 英文别名: butyric acid o-tolyl ester；Buttersaeure-o-tolylester；o-Tolyl-butyrat；2-Butyryloxy-toluol；Ethyl o-tolyl acetate；Buttersaeure-2-methylphenylester；2-Methylphenyl butyrate；(2-methylphenyl) butanoate
• CAS: 14617-90-4
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD08777377
• 分子量: 178.231
• InChiKey: MSZIFHJZHDLYCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 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：

  propanoate d'o-tolyle 在 aluminum (III) chloride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 ethyl 2-(4-butyryl-2-methylphenoxy)acetate
  参考文献：
  名称：

  Effect of structurally constrained oxime–ether linker on PPAR subtype selectivity: Discovery of a novel and potent series of PPAR-pan agonists

  摘要：

  A novel series of thaizole and oxazole containing phenoxy acetic acid derivatives is reported as PPAR-pan agonists. Incorporation of structurally constrained oxime-ether based linker in the chemotype of a potent PPAR delta selective agonist GW-501516 was adapted as designing strategy. In vitro, selected test compounds 12a, 12c, 17a and 18a showed PPAR-pan agonists activities and among these four compounds tested, 12a emerged as highly potent and efficacious compound, while 17a exhibited moderate and balanced PPAR-pan agonistic activity. In vivo, selected test compounds 12a and 17a exhibited significant anti-hyperglycemic and anti-hyperlipidemic activities in relevant animal models. These results support our hypothesis that the introduction of structurally constrained oxime-ether linker between lipophilic tail and acidic head plays an important role in modulating subtype selectivity and subsequently led to the discovery of potent PPAR-pan agonists. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.12.023
• 作为产物：
  描述：

  邻甲酚 、 丁酰氯 反应 3.0h， 以98%的产率得到propanoate d'o-tolyle
  参考文献：
  名称：

  Acyloxyalkylidènephosphoranes-III：练习曲德ω-acyloxybenzylidènetriphénylphosphoranes.nouvelleVo1E时D'ACCES辅助benzofurannes 1

  摘要：

  邻-酰氧基亚苄基三苯基苯基膦的分子内缩合导致在t- BuOH中的酰化产物和在甲苯中的苯并呋喃。讨论了机械方面。的一般方法是为苯并呋喃的从合成所述Ò -cresols，ø -hydroxybenzylic醇，和失活的酚。

  DOI：

  10.1016/s0040-4020(01)92357-9

文献信息

• Modifier, modified and conjugated diene-based polymer and methods for preparing them
  申请人：LG Chem, Ltd.

  公开号：US10450387B2

  公开（公告）日：2019-10-22

  The present invention relates to a modifier and a modified and conjugated diene-based polymer including a functional group derived therefrom, and more particularly, provides a modifier including a compound represented by Formula 1, a modified and conjugated diene-based polymer including a functional group derived from the modifier and a repeating unit derived from a conjugated diene-based monomer, and methods for preparing them. In Formula 1, the definition of each substituent is the same as defined in the description of the invention.

  本发明涉及一种改性剂和一种改性和共轭二烯基聚合物，其中包括由此衍生的功能基团，更具体地提供了一种包括由化合物表示的 Formula 1 所代表的改性剂，一种包括从改性剂衍生的功能基团和从共轭二烯基单体衍生的重复单元的改性和共轭二烯基聚合物，以及它们的制备方法。在 Formula 1 中，每个取代基的定义与发明说明中定义的相同。
• 1,8-naphthyridin-2-one derivative and use thereof
  申请人：The Green Cross Corporation

  公开号：US05658924A1

  公开（公告）日：1997-08-19

  The present invention relates to 1,8-naphthyridin-2-one derivatives, pharmaceutically acceptable acid addition salts and therapeutic agents comprising said compound as an active ingredient, which are used for the diseases such as circulatory diseases and respiratory diseases (e.g. hypertension, renal failure, heart failure, angina pectoris, myocardial infarction, arteriosclerosis, romsoongiitis obliterans, aortitis syndrome, bronchial asthma and peripheral diseases such as peripheral circulatory disorders), central nervous system diseases (e.g. depression, degradatior of central nervous function after cerebrovascular obliteration, cerebrovascular dementia, senile dementia, Alzheimer dementia and memory learning function disorders), various inflammations, and obesity.

  本发明涉及1,8-萘啶并[2-1]嘧啶-2-酮衍生物、药学上可接受的酸盐及以该化合物作为活性成分的治疗剂，用于循环系统疾病和呼吸系统疾病（如高血压、肾功能衰竭、心力衰竭、心绞痛、心肌梗塞、动脉硬化、闭塞性血管炎、主动脉炎综合征、支气管哮喘和外周循环障碍等），中枢神经系统疾病（如抑郁症、脑血管闭塞后中枢神经功能退化、脑血管性痴呆、老年性痴呆、阿尔茨海默病和记忆学习功能障碍），各种炎症和肥胖症。
• Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions
  申请人：THE MEAD CORPORATION

  公开号：EP0434437A2

  公开（公告）日：1991-06-26

  A photohardenable or thermohardenable composition comprises a free radical addition polymerizable material, a thermal or photo initiator, and an antioxidant including a combination of a primary antioxidant and a secondary antioxidant.

  光硬化或热硬化组合物由自由基加成可聚合材料、热引发剂或光引发剂以及抗氧化剂（包括一级抗氧化剂和二级抗氧化剂的组合）组成。
• 1,8-NAPHTHYRIDIN-2-ONE DERIVATIVE AND USE THEREOF-
  申请人：THE GREEN CROSS CORPORATION

  公开号：EP0670320A1

  公开（公告）日：1995-09-06

  A 1,8-naphthyridin-2-one derivative, a pharmaceutically acceptable acid addition salt thereof, and a remedy containing the same as an active ingredient for treating various diseases including peripheral diseases such as hypertension, renal failure, heart failure, angina pectoris, myocardial infarction and peripheral circulatory disturbance, diseases of circulatory and respiratory systems such as arteriosclerosis, obstructive thromboangiitis, aortitis syndrome and bronchial asthma, central nervous system diseases such as depression, hypofunction of central nervous system after cerebrovascular obstruction, cerebrovascular dementia, senile dementia, Alzheimer disease and disturbance of memory and learning functions, various inflammations, and obesity.

  一种 1,8-萘啶-2-酮衍生物、其药学上可接受的酸加成盐，以及一种以其为活性成分的药物，用于治疗各种疾病，包括外周疾病，如高血压、肾衰竭、心力衰竭、心绞痛、心肌梗塞和外周循环障碍、循环系统和呼吸系统疾病，如动脉硬化、阻塞性血栓性脉管炎、大动脉炎综合征和支气管哮喘；中枢神经系统疾病，如抑郁症、脑血管阻塞后中枢神经系统功能减退、脑血管性痴呆、老年性痴呆、阿尔茨海默病和记忆与学习功能紊乱；各种炎症和肥胖症。
• Method for producing alcohols such as cyclohexanedimethanol
  申请人：Nippon Shokubai Co., Ltd.

  公开号：EP1090902A2

  公开（公告）日：2001-04-11

  In a producing method of alcohols such as cyclohexanedimethanol, a benzyl ester is obtained, for example, by the reaction between a benzyl compound and carboxylic acid in the presence of oxygen and a catalyst including palladium, gold ultra fine particles, and at least one kind of element selected from the group consisting of Group IIA, IIIA, VIA, IIB, VB, and VIII of the periodic table, and alkali metal. The alcohols are produced by hydrogenating a benzene ring of the benzyl ester and then hydrolyzing the resultant esters. Alternatively, the benzyl ester is hydrolyzed to produce benzyl alcohols, and a benzene ring of the benzyl alcohols is hydrogenated to produce the alcohols.

  在醇类（如环己烷二甲醇）的生产方法中，例如，通过苄基化合物和羧酸在氧气和催化剂（包括钯、金超微粒子和至少一种选自元素周期表 IIA、IIIA、VIA、IIB、VB 和 VIII 族的元素以及碱金属）的存在下发生反应而获得苄酯。醇是通过氢化苄酯的苯环，然后水解生成的酯而产生的。或者，先水解苄酯，生成苄醇，再氢化苄醇的苯环，生成醇。