2-hydroxy-3-(3-nitrophenyl)propionic acid | 184882-22-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-hydroxy-3-(3-nitrophenyl)propionic acid
• 英文别名: 2-Hydroxy-3-(3-nitrophenyl)propanoic acid
• CAS: 184882-22-2
• 化学式: C₉H₉NO₅
• 分子量: 211.174
• InChiKey: GXAHXUKUJSHFEY-UHFFFAOYSA-N

物化性质

• 沸点：
  438.7±30.0 °C(Predicted)
• 密度：
  1.475±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-hydroxy-3-(3-nitrophenyl)propionic acid 在 5%-palladium/activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以100%的产率得到(+/-)-2-hydroxy-3-(3-aminophenyl)propanoic acid
  参考文献：
  名称：

  Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field

  摘要：

  本发明涉及具有一般式（I）的化合物，其中R1和R2，可以相同也可以不同，选自包括-H或具有1至6个碳原子的直链或支链烷基基团，或者共同形成具有5或6个原子的芳香或脂肪环的群；Y和Z，可以相同也可以不同，选自包括-H，-OH，-COOH，-OR3，-CH(OR3)COOH的群，其中R3选自H，苯基，苄基，-CF3或-CF2CF3，乙烯基，烯丙基和具有1至6个碳原子的直链或支链烷基基团。

  公开号：

  US20090048343A1
• 作为产物：
  描述：

  (3-Nitro-phenyl)-brenztraubensaeure 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以79%的产率得到2-hydroxy-3-(3-nitrophenyl)propionic acid
  参考文献：
  名称：

  Deracemisation of aryl substituted α-hydroxy esters using Candida parapsilosis ATCC 7330: effect of substrate structure and mechanism

  摘要：

  Candida parapsilosis ATCC 7330 was found to be an efficient biocatalyst for the deracemisation of aryl alpha-hydroxy esters (65-85% yield and 90-99% ee). A variety of aryl and aryl substituted alpha-hydroxy esters were synthesized to reflect steric and electronic effects on biocatalytic deracemisation. The mechanism of this biocatalytic deracemisation was found to be stereoinversion. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.104

文献信息

• Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field
  申请人：Naccari Giancarlo

  公开号：US20090048343A1

  公开（公告）日：2009-02-19

  The present invention relates to compounds comprising the general formula (I), in which R 1 and R 2 , which may be identical or different, are selected from the group comprising —H or a linear or branched alkyl group having from 1 to 6 carbon atoms or together form an aromatic or aliphatic ring with 5 or 6 atoms; Y and Z, which may be identical or different, are selected from the group comprising —H, —OH, —COOH, —OR 3 , —CH(OR 3 )COOH, in which R 3 is selected from H, phenyl, benzyl, —CF 3 or —CF 2 CF 3 , vinyl, allyl and a linear or branched alkyl group having from 1 to 6 carbon atoms.

  本发明涉及具有一般式（I）的化合物，其中R1和R2，可以相同也可以不同，选自包括-H或具有1至6个碳原子的直链或支链烷基基团，或者共同形成具有5或6个原子的芳香或脂肪环的群；Y和Z，可以相同也可以不同，选自包括-H，-OH，-COOH，-OR3，-CH(OR3)COOH的群，其中R3选自H，苯基，苄基，-CF3或-CF2CF3，乙烯基，烯丙基和具有1至6个碳原子的直链或支链烷基基团。
• Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field
  申请人：Giuliani International Limited

  公开号：US08153841B2

  公开（公告）日：2012-04-10

  The present invention relates to compounds comprising the general formula (I), in which R1 and R2, which may be identical or different, are selected from the group comprising —H or a linear or branched alkyl group having from 1 to 6 carbon atoms or together form an aromatic or aliphatic ring with 5 or 6 atoms; Y and Z, which may be identical or different, are selected from the group comprising —H, —OH, —COOH, —OR3, —CH(OR3)COOH, in which R3 is selected from H, phenyl, benzyl, —CF3 or —CF2CF3, vinyl, allyl and a linear or branched alkyl group having from 1 to 6 carbon atoms.

  本发明涉及具有通式（I）的化合物，其中R1和R2可能相同或不同，选自包括-H或具有1至6个碳原子的线性或支链烷基或共同形成具有5或6个原子的芳香或脂肪环的群体; Y和Z可能相同或不同，选自包括-H，-OH，-COOH，-OR3，-CH（OR3）COOH，其中R3选自H，苯基，苄基，-CF3或-CF2CF3，乙烯基，丙烯基和具有1至6个碳原子的线性或支链烷基。
• Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field
  申请人：Naccari Giancarlo

  公开号：US20130005813A1

  公开（公告）日：2013-01-03

  The present invention relates to compounds comprising the general formula (I), in which R 1 and R 2 , which may be identical or different, are selected from the group comprising —H or a linear or branched alkyl group having from 1 to 6 carbon atoms or together form an aromatic or aliphatic ring with 5 or 6 atoms; Y and Z, which may be identical or different, are selected from the group comprising —H, —OH, —COOH, —OR 3 , —CH(OR 3 )COOH, in which R 3 is selected from H, phenyl, benzyl, —CF 3 or —CF 2 CF 3 , vinyl, allyl and a linear or branched alkyl group having from 1 to 6 carbon atoms.

  本发明涉及通式（I）的化合物，其中R1和R2可以相同或不同，选自包括-H或具有1到6个碳原子的线性或支链烷基或共同形成具有5或6个原子的芳香或脂肪环的群体；Y和Z可以相同或不同，选自包括-H、-OH、-COOH、-OR3、-CH（OR3）COOH的群体，其中R3选自H、苯基、苄基、-CF3或-CF2CF3、乙烯基、丙烯基和具有1到6个碳原子的线性或支链烷基。
• US8153841B2
  申请人：——

  公开号：US8153841B2

  公开（公告）日：2012-04-10
• US8710100B2
  申请人：——

  公开号：US8710100B2

  公开（公告）日：2014-04-29