methyl (S)-3-(3'-Chlorophenyl)-3-Hydroxypropionate | 632327-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl (S)-3-(3'-Chlorophenyl)-3-Hydroxypropionate
• 英文别名: methyl 3-(3-chlorophenyl)-3-hydroxypropanoate；(-)-methyl 3-(3-chlorophenyl)-3-hydroxypropionate；methyl 3-(3'-chlorophenyl)-3-hydroxypropionate；Methyl (S)-3-(3-chlorophenyl)-3-hydroxypropanoate
• CAS: 632327-21-0
• 化学式: C₁₀H₁₁ClO₃
• 分子量: 214.649
• InChiKey: YVNZOWCPXSCKBU-UHFFFAOYSA-N

物化性质

• 沸点：
  334.7±27.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl (S)-3-(3'-Chlorophenyl)-3-Hydroxypropionate 在 4-二甲氨基吡啶 、 乙酸酐 作用下， 以 二氯氟甲烷 为溶剂， 反应 10957.5h， 生成 (S)-(-)-methyl 3-(acetyloxy)-3-(3-chlorophenyl)propanoate
  参考文献：
  名称：

  WO2007/22073

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氯苯乙酮 在 锂硼氢 、 氢气 、 sodium hydride 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 4.5h， 生成 methyl (S)-3-(3'-Chlorophenyl)-3-Hydroxypropionate
  参考文献：
  名称：

  用于 α- 和 β- 羟基酸位点选择性和立体发散合成的多功能生物催化 C(sp3)−H 氧官能化

  摘要：

  在此，α-酮戊二酸依赖性芳氧基链烷酸双加氧酶（AAD）被重新用于生物催化氧功能化中的应用。天然 AAD 的活性分析使得四种类型的α-和β-羟基酸的合成具有广泛、高效和良好的选择性。

  DOI：

  10.1002/anie.202305250

文献信息

• Novel 2'-C-methyl nucleoside derivatives
  申请人：Reddy Raja K.

  公开号：US20050182252A1

  公开（公告）日：2005-08-18

  Compounds of Formula I, stereoisomers, and pharmaceutically acceptable salts or prodrugs thereof, their preparation, and their uses for the treatment of hepatitis C viral infection are described:

  化合物I的配方、立体异构体以及其药用可接受的盐或前药，它们的制备以及它们用于治疗丙型肝炎病毒感染的用途被描述：
• Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof
  申请人：CHISSO CORPORATION

  公开号：EP0451668A2

  公开（公告）日：1991-10-16

  The invention relates to optically active alkyl 3-aryl-3-hydroxypropionates represented by the general formula: wherein R¹, R², R³, R ⁴ and R⁵ are hydrogen, hydroxyl, alkoxy of 1-4 carbon atoms, benzyloxy, flurorine, chlorine or bromine and R⁶ is alkyl, and a method for producing the above compounds.

  本发明涉及由通式表示的光学活性 3-芳基-3-羟基丙酸烷基酯： 其中 R¹、R²、R³、R⁴ 和 R⁵ 是氢、羟基、1-4 个碳原子的烷氧基、苄氧基、氟、氯或溴，R⁶ 是烷基、 以及生产上述化合物的方法。
• PHENANTHROLINE PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF
  申请人：Beryl Therapeutics, Inc.

  公开号：EP3130593A1

  公开（公告）日：2017-02-15

  The present invention relates to a novel phenanthroline phosphonic acid compound and a pharmaceutical salt thereof, as well as an application of the compound and the pharmaceutical salt thereof as collagen prolyl hydroxylase inhibitors in the preparation of drugs for preventing or treating collagen prolyl-4-hydroxylase related disease.

  本发明涉及一种新型菲罗啉膦酸化合物及其药用盐，以及该化合物及其药用盐作为胶原脯氨酰羟化酶抑制剂在制备预防或治疗胶原脯氨酰-4-羟化酶相关疾病药物中的应用。
• Studies on the chemoenzymatic synthesis of (R)- and (S)-methyl 3-aryl-3-hydroxypropionates: the influence of toluene-pretreatment of lipase preparations on enantioselective transesterifications
  作者：Paweł Borowiecki、Maria Bretner

  DOI：10.1016/j.tetasy.2013.06.004

  日期：2013.8

  Two series (para- and meta-substituted) of racemic methyl esters of 3-aryl-3-hydroxypropionic acid were prepared after which the enantiomers were separated by an enzyme-catalyzed transesterification. Several lipases were investigated as the catalyst. The influence of the enzyme pretreatment, as well as substrate concentration, reaction temperature, stirring manner, and substrate conversion on the stereochemical outcome of the biotransformation process were investigated in detail. The best results were achieved by using solvent-pretreated lipase from Pseudomonas fluorescens or Burkholderia cepacia suspended in toluene, and vinyl acetate as the acetyl group donor. (C) 2013 Elsevier Ltd. All rights reserved.
• Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates
  申请人：CHISSO CORPORATION

  公开号：EP0451668B1

  公开（公告）日：1997-08-13