3-(4-氯苯基)-4-羟基丁酸 | 52977-95-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-(4-氯苯基)-4-羟基丁酸
• 中文别名: 5,6,7,8-四氟香豆素
• 英文名称: 3-(4-chlorophenyl)-4-hydroxybutyric acid
• 英文别名: 3-(p-chlorophenyl)-4-hydroxybutyric acid；CHBA；4-Chloro-beta-(hydroxymethyl)benzenepropanoic acid；3-(4-chlorophenyl)-4-hydroxybutanoic acid
• CAS: 52977-95-4
• 化学式: C₁₀H₁₁ClO₃
• 分子量: 214.649
• InChiKey: RTLXZWYTMZVUIO-UHFFFAOYSA-N

物化性质

• 熔点：
  168-170°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 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：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-氯苯基)-4-羟基丁酸 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 以24%的产率得到
  参考文献：
  名称：

  Determination of the absolute configuration of two α v β 6 integrin inhibitors for the treatment of idiopathic pulmonary fibrosis and investigations on the asymmetric 1,4-addition of arylboronic acids to crotonate esters bearing a C4-oxygen substituent

  摘要：

  The absolute configuration of two novel alpha(v)beta(6) integrin inhibitors was established via degradation to the corresponding C3-aryl substituted butyrolactone. The configuration of the resulting lactones was established by asymmetric synthesis using 1,4-addition of arylboronic acids to butenolide, catalysed by bis (norbornadiene)rhodium (I) tetrafluoroborate in the presence of (R)-BINAP, and confirmed by X-ray crystallography. Studies on arylboronic acid conjugate additions to acyclic crotonate esters bearing a gamma-oxygen substituent are also reported. Three Rh catalysts were investigated and the one giving the highest enantioselectivity was bis(norbornadiene)rhodium (I) tetrafluoroborate. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2017.08.017
• 作为产物：
  描述：

  4-氯苯硼酸 在 chloro(1,5-cyclooctadiene)rhodium(I) dimer 、 三氯化硼 、 (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 正庚烷 、 二氯甲烷 、 水 为溶剂， 反应 3.08h， 生成 3-(4-氯苯基)-4-羟基丁酸
  参考文献：
  名称：

  Determination of the absolute configuration of two α v β 6 integrin inhibitors for the treatment of idiopathic pulmonary fibrosis and investigations on the asymmetric 1,4-addition of arylboronic acids to crotonate esters bearing a C4-oxygen substituent

  摘要：

  The absolute configuration of two novel alpha(v)beta(6) integrin inhibitors was established via degradation to the corresponding C3-aryl substituted butyrolactone. The configuration of the resulting lactones was established by asymmetric synthesis using 1,4-addition of arylboronic acids to butenolide, catalysed by bis (norbornadiene)rhodium (I) tetrafluoroborate in the presence of (R)-BINAP, and confirmed by X-ray crystallography. Studies on arylboronic acid conjugate additions to acyclic crotonate esters bearing a gamma-oxygen substituent are also reported. Three Rh catalysts were investigated and the one giving the highest enantioselectivity was bis(norbornadiene)rhodium (I) tetrafluoroborate. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2017.08.017

文献信息

• TREATMENT OF CEREBRAL ISCHEMIA
  申请人：Pharnext

  公开号：EP3332781A1

  公开（公告）日：2018-06-13

  The present invention relates to new compositions comprising acamprosate and baclofen, or a salt, enantiomer, racemate, a derivative, prodrug or metabolite thereof, and methods for protecting neuronal cells from ischemic or hypoxic events. More precisely, this invention provides new combinatorial therapies that efficiently protect neuronal cells from ischemia or hypoxia.

  本发明涉及由阿坎酸和巴氯芬或其盐、对映体、外消旋体、衍生物、原药或代谢物组成的新组合物，以及保护神经元细胞免受缺血或缺氧事件影响的方法。更确切地说，本发明提供了新的组合疗法，可有效保护神经元细胞免受缺血或缺氧的影响。
• BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROGICAL DISORDERS
  申请人：Pharnext

  公开号：EP2560631B1

  公开（公告）日：2014-01-15
• Baclofen and acamprosate based therapy of neurological disorders
  申请人：Pharnext

  公开号：EP2727588B1

  公开（公告）日：2018-08-29
• NEW THERAPEUTIC APPROACHES FOR TREATING PARKINSON'S DISEASE
  申请人：Pharnext

  公开号：EP2819663B1

  公开（公告）日：2017-07-05
• NEW COMPOSITIONS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS
  申请人：Pharnext

  公开号：EP2819664B1

  公开（公告）日：2017-05-31