3,4-二甲基苯乙烯氧化物 | 1855-36-3

• 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: 3,4-二甲基苯乙烯氧化物
• 英文名称: (3,4-dimethyl-phenyl)-oxirane
• 英文别名: (3,4-Dimethyl-phenyl)-oxiran；3,4-Dimethylphenyloxirane；3,4-dimethylstyrene oxide；3,4-Dimethyl-1-(1,2-epoxy-ethyl)-benzol；3,4-Dimethyl-styroloxid；2-(3,4-Dimethylphenyl)oxirane
• CAS: 1855-36-3；141303-37-9
• 化学式: C₁₀H₁₂O
• mdl: MFCD01741454
• 分子量: 148.205
• InChiKey: GMFDVHPDGHUBBS-UHFFFAOYSA-N

物化性质

• 沸点：
  208.81°C (rough estimate)
• 密度：
  0.8884 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4-二甲基苯乙烯氧化物 以 二氯甲烷 为溶剂， 生成 N-[[4-[[cyclobutyl-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]carbamoyl]amino]phenyl]methyl]-2,2-dimethylpropanamide
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8
• 作为产物：
  描述：

  3,4-二甲基苯甲醛 、 三甲基甲基硫酸硫 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 二氯甲烷 、 水 为溶剂， 以78%的产率得到3,4-二甲基苯乙烯氧化物
  参考文献：
  名称：

  2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists

  摘要：

  这项发明涉及新颖的2,6-取代的色苷衍生物，可用于治疗β-3肾上腺素受体介导的疾病。

  公开号：

  US20030078260A1

文献信息

• New benzoyl piperidine compounds
  申请人：——

  公开号：US20040044033A1

  公开（公告）日：2004-03-04

  Provided herein are racemic or enantiomerically enriched benzoyl piperidine compounds and pharmaceutically useful salts thereof, pharmaceutical compositions comprising an effective amount of racemic or enantiomerically enriched benzoyl piperidine compounds to treat central nervous system diseases and methods of treating central nervous system diseases in a mammal, in particular psychoses and cognition disorders.

  提供本申请中的是外消旋或enantioselectively富集的苯甲酰哌啶化合物及其药用盐,药物组合物包括用于治疗中枢神经系统疾病的racemic或enantioselectively富集的苯甲酰哌啶化合物的有效量,以及治疗哺乳动物中枢神经系统疾病的方法,特别是精神疾病和认知障碍。
• Studies on Cognitive Enhancing Agents. II. Antiamnestic and Antihypoxic Activities of 1-Aryl-2-(2-aminoethoxy)ethanols.
  作者：Satoshi ONO、Tetsuo YAMAFUJI、Hisaaki CHAKI、Hajime MORITA、Yozo TODO、Mutsuko MAEKAWA、Kazunori KITAMURA、Masaru TAI、Hirokazu NARITA

  DOI：10.1248/cpb.43.1488

  日期：——

  A series of 2-(2-aminoethoxy)-1-phenylethanols having a variety of N- and phenyl-substitution patterns as well as 5- and 6-membered heteroaryl counterparts of our prototype compound 1 (2-(2-dimethylaminoethoxy)-1-phenylethanol) have been prepared and evaluated for antiamnestic and antihypoxic activities. Compound 3b, the 3-methylphenyl analogue of 1, proved to be significantly more potent than 1 in reversing eelctroconvulsive shock-induced amnesia as well as CO2-induced learning-impairment in mice. It exhibited low acute toxicity in mice and afforded a greater brain/serum concentration ratio than 1 after oral administration to rats.

  一系列具有多种N-和苯基取代模式的2-(2-氨基乙氧基)-1-苯乙醇及其5-和6元异芳烃对应化合物已经被合成并评估了其抗遗忘和抗缺氧活性。化合物3b，即1的3-甲基苯基类似物，在逆转电休克引起的健忘症及CO2诱导的小鼠学习障碍方面的效力显著高于1。它在小鼠中表现出低急性毒性，并且在口服给药后比1在大鼠中提供了更高的脑/血清浓度比。
• Efficient Conversion of Epoxides into β-Hydroperoxy Alcohols Catalyzed by Antimony Trichloride/SiO₂
  作者：Zhan-Hui Zhang、Tong-Shuang Li、Yu-Heng Liu

  DOI：10.1055/s-0028-1083147

  日期：——

  Efficient ring-opening of various epoxides with hydrogen peroxide, catalyzed by antimony trichloride/SiO2, afforded the corresponding β-hydroperoxy alcohols in good to excellent yields under mild reaction conditions. The reactions were efficiently promoted by ultrasound irradiation.

  在三氯化锑/二氧化硅催化下，各种环氧化物与过氧化氢的高效开环反应在温和的反应条件下得到了相应的 δ-hydroperoxy 醇，收率从良好到极佳。超声辐照有效地促进了反应的进行。
• [EN] NEW BENZOYL PIPERIDINE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES BENZOYLE PIPERIDINE
  申请人：SK CORP

  公开号：WO2004018423A1

  公开（公告）日：2004-03-04

  The present invention concerns racemic or enantiomerically enriched O-carbamoyl, alkoxy, azole or carbonate benzoyl piperidine compounds and pharmaceutically useful salts thereof. The present invention relates to a pharmaceutical composition comprising an effective amount of racemic or enantiomerically enriched benzoyl piperidine compounds to treat central nervous system diseases such as psychosis and cognition disorder and a method of treating central nervous system diseases in a mammal. Also, the present invention is concerned with a process for preparing the same.

  本发明涉及光学异构体富集或混合的O-氨甲酰基、烷氧基、唑类或碳酸酯苯甲酰哌啶化合物及其药用盐。本发明涉及一种制备有效量的混合或光学异构体富集的苯甲酰哌啶化合物的制药组合物，用于治疗中枢神经系统疾病，如精神病和认知障碍，以及治疗哺乳动物中枢神经系统疾病的方法。此外，本发明还涉及一种制备上述化合物的方法。
• 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists
  申请人：O'Connor Stephen J.

  公开号：US06919371B2

  公开（公告）日：2005-07-19

  This invention relates to novel 2,6-substituted chroman derivatives which are useful in the treatment of beta-3 adrenoreceptor-mediated conditions.

  本发明涉及一种新型的2,6-取代的色甘醇衍生物，可用于治疗β-3肾上腺素能受体介导的疾病。