2-acetylamino-3-benzo[1,3]dioxol-5-yl-acrylic acid | 112150-35-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-acetylamino-3-benzo[1,3]dioxol-5-yl-acrylic acid
• 英文别名: 2-Acetylamino-3-benzo[1,3]dioxol-5-yl-acrylsaeure；2-(acetylamino)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid；(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
• CAS: 112150-35-3
• 化学式: C₁₂H₁₁NO₅
• 分子量: 249.223
• InChiKey: QTNHDDAPMUJZSZ-RUDMXATFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-acetylamino-3-benzo[1,3]dioxol-5-yl-acrylic acid 在 盐酸 作用下， 生成 β-(benzo[1,3]dioxol-5-yl)pyruvic acid
  参考文献：
  名称：

  Unsymmetrical Cyanostilbenes

  摘要：

  DOI：

  10.1021/ja01256a042
• 作为产物：
  描述：

  4-benzo[1,3]dioxol-5-ylmethylene-2-methyl-4H-oxazol-5-one 在 水 作用下， 以 丙酮 为溶剂， 反应 4.0h， 生成 2-acetylamino-3-benzo[1,3]dioxol-5-yl-acrylic acid
  参考文献：
  名称：

  Holla; Gonsalves; Shivananda, Bollettino Chimico Farmaceutico, 1998, vol. 137, # 3, p. 93 - 96

  摘要：

  DOI：

文献信息

• SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF
  申请人：Zheng Xiaohui

  公开号：US20090131677A1

  公开（公告）日：2009-05-21

  The present invention relates to a compound of the formula (I), wherein R 1 , R 2 and R 3 are each independently selected from H, OH, F, Cl, Br, methoxy and ethoxy; or alternatively, R 1 and R 2 together form —OCH 2 O—, R 3 is selected from H, OH, methoxy, ethoxy and halogens; R 4 is OH or acyloxy; R 5 is cycloalkoxyl, amino and substituted amino, and when R 5 is selected from amino, at least one of R 1 , R 2 and R 3 is not H. The present invention further relates to a process for synthesizing a compound of the formula (I), and use of the compound of the formula (I) in the manufacture of a medicament for the prevention or treatment of cardiovascular or cerebrovascular diseases.

  本发明涉及公式（I）的化合物，其中R1、R2和R3各自独立地选自H、OH、F、Cl、Br、甲氧基和乙氧基；或者，R1和R2一起形成-OCH2O-，R3选自H、OH、甲氧基、乙氧基和卤素；R4为OH或酰氧基；R5为环烷氧基、氨基和取代氨基，当R5选自氨基时，至少有R1、R2和R3中的一个不是H。本发明还涉及合成公式（I）化合物的方法，以及使用公式（I）化合物制造用于预防或治疗心血管或脑血管疾病的药物。
• New chiral phosphinopyrrolidine compounds and their use for asymmetric synthesis of optically active compounds
  申请人：FUJI YAKUHIN KOGYO KABUSHIKI KAISHA

  公开号：EP0336123A2

  公开（公告）日：1989-10-11

  New chiral phosphinopyrrolidine compounds of the general formula: wherein R¹ is hydrogen or -COA¹, -COOA², -CONHA³, -SO₂A⁴ or -PO(A⁵)₂, A¹, A², A³, A⁴, and A⁵ each represents independently alkyl or pharyl, R² is phenyl, di(lower-­alkyl)aminophenyl, lower-alkoxyphenyl or 3,5-dimethyl-4-­methoxyphenyl, and R³ is phenyl, lower-alkylphenyl, di(lower-alkyl)aminophenyl, lower-alkoxyphenyl or 3,5-­dimethyl-4-methoxyphenyl, with the proviso that R² and R³ may not simultaneously be phenyl, p-di(lower-alkyl)-­ aminophenyl or p-lower-alkoxyphenyl, as well as the use of these compounds as ligand for a metal complex catalyst for asymmetric synthesis of optically active compounds. The new chiral phosphinopyrrolidine compounds are useful ligands which attain both of high optical yield and high reaction efficiency in catalytic asymmetric reduction.

  通式如下的新型手性膦基吡咯烷化合物： 其中 R¹ 是氢或 -COA¹、-COOA²、-CONHA³、-SO₂A⁴ 或 -PO(A⁵)₂，A¹、A²、A³、A⁴ 和 A⁵ 各自独立地代表烷基或芳基、R² 是苯基、二（低级烷基）氨基苯基、低级烷氧基苯基或 3,5-二甲基-4-甲氧基苯基，而 R³ 是苯基、低级烷基苯基、二（低级烷基）氨基苯基、低级烷氧基苯基或 3,5-二甲基-4-甲氧基苯基、这些化合物还可用作金属络合物催化剂的配体，用于光学活性化合物的不对称合成。新的手性磷吡咯烷化合物是有用的配体，在催化不对称还原反应中既能获得高光学产率，又能获得高反应效率。
• SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF
  申请人：Northwest University

  公开号：EP2019090A1

  公开（公告）日：2009-01-28

  The present invention relates to a compound of the formula (I), wherein R1, R2 and R3 are each independently selected from H, OH, F, Cl, Br, methoxy and ethoxy; or alternatively, R1 and R2 together form -OCH2O-, R3 is selected from H, OH, methoxy, ethoxy and halogens; R4 is OH or acyloxy; R5 is cycloalkoxyl, amino and substituted amino, and when R5 is selected from amino, at least one of R1, R2 and R3 is not H. The present invention further relates to a process for synthesizing a compound of the formula (I), and use of the compound of the formula (I) in the manufacture of a medicament for the prevention or treatment of cardiovascular or cerebrovascular diseases.

  本发明涉及一种式(I)化合物，其中R1、R2和R3各自独立地选自H、OH、F、Cl、Br、甲氧基和乙氧基；或者，R1和R2一起形成-OCH2O-，R3选自H、OH、甲氧基、乙氧基和卤素；R4是OH或酰氧基；R5是环烷氧基、氨基和取代氨基，当R5选自氨基时，R1、R2和R3中至少有一个不是H。本发明进一步涉及一种合成式（I）化合物的工艺，以及式（I）化合物在制造预防或治疗心脑血管疾病的药物中的用途。
• Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof
  申请人：Northwest University

  公开号：EP2514739A1

  公开（公告）日：2012-10-24

  The present invention relates to a compound of the formula (I), wherein R1, R2 and R3 are each independently selected from H, OH, F, Cl, Br, methoxy and ethoxy; or alternatively, R1 and R2 together form -OCH2O-, R3 is selected from H, OH, methoxy, ethoxy and halogens; R4 is OH or acyloxy; R5 is cycloalkoxyl, amino and substituted amino, and when R5 is selected from amino, at least one of R1, R2 and R3 is not H. The present invention further relates to a process for synthesizing a compound of the formula (I), and use of the compound of the formula (I) in the manufacture of a medicament for the prevention or treatment of cardiovascular or cerebrovascular diseases.

  本发明涉及一种式(I)化合物，其中R1、R2和R3各自独立地选自H、OH、F、Cl、Br、甲氧基和乙氧基；或者，R1和R2一起形成-OCH2O-，R3选自H、OH、甲氧基、乙氧基和卤素；R4是OH或酰氧基；R5是环烷氧基、氨基和取代氨基，当R5选自氨基时，R1、R2和R3中至少有一个不是H。本发明进一步涉及一种合成式（I）化合物的工艺，以及式（I）化合物在制造预防或治疗心脑血管疾病的药物中的用途。
• Unsymmetrical Cyanostilbenes
  作者：Joseph B. Niederl、Albert Ziering

  DOI：10.1021/ja01256a042

  日期：1942.4