4-Phenyl-3-sulfo-butyric acid ethyl ester | 869467-22-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-Phenyl-3-sulfo-butyric acid ethyl ester
• 英文别名: 4-Ethoxy-4-oxo-1-phenylbutane-2-sulfonic acid
• CAS: 869467-22-1
• 化学式: C₁₂H₁₆O₅S
• 分子量: 272.322
• InChiKey: CTUIODRECBGCNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Phenyl-3-sulfo-butyric acid ethyl ester 在 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 3-Chlorosulfonyl-4-phenyl-butyric acid ethyl ester
  参考文献：
  名称：

  Concise Approach to Novel Isothiazolidinone Phosphotyrosine Mimetics:  Microwave-Assisted Addition of Bisulfite to Activated Olefins

  摘要：

  A novel and efficient synthesis of isothiazolidinone protein tyrosine phosphatase mimetics is presented. A practical, regiospecific microwave-assisted addition of bisulfite to activated olefins, including unprecedented reactions with styrene derivatives, is highlighted.

  DOI：

  10.1021/ol052076b
• 作为产物：
  描述：

  ethyl 3-benzylacrylate 在 sodium hydrogensulfite 作用下， 以 乙醇 、 水 为溶剂， 165.0 ℃ 、1.2 MPa 条件下， 反应 0.5h， 以87%的产率得到4-Phenyl-3-sulfo-butyric acid ethyl ester
  参考文献：
  名称：

  Concise Approach to Novel Isothiazolidinone Phosphotyrosine Mimetics:  Microwave-Assisted Addition of Bisulfite to Activated Olefins

  摘要：

  A novel and efficient synthesis of isothiazolidinone protein tyrosine phosphatase mimetics is presented. A practical, regiospecific microwave-assisted addition of bisulfite to activated olefins, including unprecedented reactions with styrene derivatives, is highlighted.

  DOI：

  10.1021/ol052076b

文献信息

• COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS
  申请人：Hoveyda Hamid

  公开号：US20110230477A1

  公开（公告）日：2011-09-22

  The present invention is directed to novel compounds of formula (I) and their use in treating metabolic diseases.

  本发明涉及式（I）的新化合物及其在治疗代谢性疾病方面的应用。
• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS<br/>[FR] COMPOSÉS, COMPOSITION PHARMACEUTIQUE ET MÉTHODES POUR APPLICATION AU TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：EUROSCREEN SA

  公开号：WO2010066682A1

  公开（公告）日：2010-06-17

  The present invention is directed to novel compounds of formula (I) and their use in treating metabolic diseases.
• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS<br/>[FR] COMPOSÉS, COMPOSITION PHARMACEUTIQUE ET PROCÉDÉS POUR UTILISATION DANS LE TRAITEMENT DE TROUBLES GASTRO-INTESTINAUX
  申请人：EUROSCREEN SA

  公开号：WO2011076732A1

  公开（公告）日：2011-06-30

  The present invention relates to compounds of formula (I) useful in treating and/or preventing gastrointestinal disorders.
• [EN] COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES<br/>[FR] COMPOSÉS, COMPOSITION PHARMACEUTIQUE ET PROCÉDÉS POUR UTILISATION DANS LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：EUROSCREEN SA

  公开号：WO2011076734A1

  公开（公告）日：2011-06-30

  The present invention relates to compounds of formula (I) (I) useful in treating and/or preventing inflammatory diseases.
• Concise Approach to Novel Isothiazolidinone Phosphotyrosine Mimetics:  Microwave-Assisted Addition of Bisulfite to Activated Olefins
  作者：Matthew L. Crawley、Erin McLaughlin、Wenyu Zhu、Andrew P. Combs

  DOI：10.1021/ol052076b

  日期：2005.10.1

  A novel and efficient synthesis of isothiazolidinone protein tyrosine phosphatase mimetics is presented. A practical, regiospecific microwave-assisted addition of bisulfite to activated olefins, including unprecedented reactions with styrene derivatives, is highlighted.