-3-(2,4-dichlorophenyl)-2-methylprop-2-enoic acid | 103754-42-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: -3-(2,4-dichlorophenyl)-2-methylprop-2-enoic acid
• 英文别名: 3t-(2,4-dichloro-phenyl)-2-methyl-acrylic acid；3t-(2,4-Dichlor-phenyl)-2-methyl-acrylsaeure；(E)-3-(2,4-dichlorophenyl)-2-methylprop-2-enoic acid
• CAS: 103754-42-3
• 化学式: C₁₀H₈Cl₂O₂
• 分子量: 231.078
• InChiKey: RRFQDBWWFNMLQO-GQCTYLIASA-N

物化性质

• 熔点：
  145.5-147 °C
• 沸点：
  361.5±27.0 °C(Predicted)
• 密度：
  1.398±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(2,4-二氯苯基)-3-羟基-2-亚甲基丙酸甲酯 在 氢氧化钾 、 sodium tetrahydroborate 、 碘 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 生成 -3-(2,4-dichlorophenyl)-2-methylprop-2-enoic acid
  参考文献：
  名称：

  Synthetic Applications of Baylis-Hillman Chemistry: An Efficient and Solely Stereoselective Synthesis of (E)-.ALPHA.-Methylcinnamic Acids and Potent Hypolipidemic Agent LK-903 from Unmodified Baylis-Hillman Adducts

  摘要：

  通过在室温下用I2/NaBH4试剂系统还原未改性的Baylis-Hillman加合物（甲基-3-羟基-3-芳基-2-亚甲基丙酸甲酯），然后进行水解，在单罐中实现了（E）-α-甲基肉桂酸的高效且完全立体选择性合成。这种方法的有效性已在1-[p-(肉豆蔻氧基)-α-甲基肉桂酰]甘油（LK-903）的全合成中得到证实，这是一种高活性的降血脂剂。

  DOI：

  10.1248/cpb.54.1725

文献信息

• [EN] PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉ DE SULFAMATE DE PHÉNYLALKYLE ET COMPOSITION MYORELAXANTE LE CONTENANT
  申请人：BIO PHARM SOLUTIONS CO LTD

  公开号：WO2013187727A1

  公开（公告）日：2013-12-19

  The present invention relates to novel phenylalkyl sulfamate compounds, a method for preventing or treating a disease associated with muscle spasm. The present invention ensures the enhancement of muscle relaxation activity essential for alleviation of muscle spasm, such that it is promising for preventing or treating various diseases associated with muscle spasm.

  本发明涉及新型苯基烷基磺酰胺化合物，一种用于预防或治疗与肌肉痉挛相关疾病的方法。本发明确保增强肌肉松弛活性，这对于缓解肌肉痉挛至关重要，因此有望预防或治疗与肌肉痉挛相关的各种疾病。
• Microwave-assisted synthesis of the (E)-α-methylalkenoate framework from multifunctionalized allylic phosphonium salts
  作者：Lidiane Meier、Misael Ferreira、Marcus M. Sá

  DOI：10.1002/hc.21001

  日期：——

  A convenient and general microwave-assisted method for the synthesis of stereochemically defined α-methylalkenoic acids and esters from allylic phosphonium salts in a basic aqueous medium is described. A selective preparation of acids or esters was dependent on the base (NaOH or NaHCO3) employed in the reaction and could be achieved with good to excellent yields under mild conditions in the absence

  描述了一种方便和通用的微波辅助方法，用于在碱性水介质中从烯丙基鏻盐合成立体化学定义的 α-甲基链烯酸和酯。酸或酯的选择性制备取决于反应中使用的碱（NaOH 或 NaHCO3），并且可以在不存在氢化物和还原剂的温和条件下以良好到极好的收率实现。© 2012 Wiley Periodicals, Inc. 杂原子化学 23:179–186, 2012; 在 wileyonlinelibrary.com 上在线查看这篇文章。DOI 10.1002/hc.21001
• [EN] SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY<br/>[FR] COMPOSÉ DÉRIVÉ DE SULFAMATE DESTINÉ À ÊTRE UTILISÉ DANS LA PRÉVENTION OU LE TRAITEMENT DE L'ÉPILEPSIE
  申请人：BIO PHARM SOLUTIONS CO LTD

  公开号：WO2015088271A1

  公开（公告）日：2015-06-18

  The present invention relates to a pharmaceutical composition for treating or preventing epilepsy containing a sulfamate derivative compound and/or pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or prevention epilepsy comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or prevention of epilepsy.

  本发明涉及一种用于治疗或预防癫痫的药物组合物，其包含磺酰胺衍生物化合物和/或其药用可接受的盐作为活性成分。此外，本发明涉及一种治疗或预防癫痫的方法，包括向需要治疗或预防癫痫的受试者施用磺酰胺衍生物化合物的药用有效量。
• PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME
  申请人：BIO-PHARM SOLUTIONS CO., LTD.

  公开号：US20150266848A1

  公开（公告）日：2015-09-24

  The present invention relates to novel phenylalkyl sulfamate compounds, a method for preventing or treating a disease associated with muscle spasm. The present invention ensures the enhancement of muscle relaxation activity essential for alleviation of muscle spasm, such that it is promising for preventing or treating various diseases associated with muscle spasm.

  本发明涉及一种新型的苯基烷基磺酰胺化合物，以及一种预防或治疗与肌肉痉挛有关的疾病的方法。本发明确保增强肌肉松弛活性，这对于缓解肌肉痉挛至关重要，因此本发明有望预防或治疗与肌肉痉挛有关的各种疾病。
• Triazole and imidazole compounds, process for their preparation and their use as fungicides and plant growth regulators, and intermediates for their synthesis
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0099165A1

  公开（公告）日：1984-01-25

  wherein R1 is hydrogen, alkyl, cycloalkyl, heterocyclyl, or aryl or aralkyl both optionally substituted with halogen, nitro, alkyl, haloalkyl, alkoxy, phenyl, phenoxy, halophenyl, or haloalkoxy; R2 is hydrogen, alkyl, alkenyl, alkynyl, aralkyl or acyl; R3 and R4, which may be the same or different, are hydrogen, alkyl, alkenyl, or optionally substituted aryl; W is N or CH; X is -CO2R5, -CONR6R7, -CN, -CHO, 4,4-dimethyl-Δ2-oxazolin-2-yl, or 4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl; R5, R6 and R7, which may be the same or different, are hydrogen, optionally substituted alkyl, optionally substituted aralkyl, alkenyl, or optionally substituted aryl; and their acid addition salts and metal complexes. The compounds have fungicidal activity and plant growth regulating activity.

  其中 R1 是氢、烷基、环烷基、杂环烷基或芳基或芳烷基，两者可任选被卤素、硝基、烷基、卤代烷基、烷氧基、苯基、苯氧基、卤代苯基或卤代烷氧基取代；R2 是氢、烷基、烯基、炔基、芳烷基或酰基；R3 和 R4 可以相同或不同，是氢、烷基、烯基或任选取代的芳基；W是N或CH；X是-CO2R5、-CONR6R7、-CN、-CHO、4,4-二甲基-Δ2-恶唑啉-2-基或4,4,6-三甲基-5,6-二氢-1,3-恶嗪-2-基；R5、R6和R7可以相同或不同，是氢、任选取代的烷基、任选取代的芳基、烯基或任选取代的芳基；以及它们的酸加成盐和金属络合物。这些化合物具有杀菌活性和植物生长调节活性。