3-氨基-3-(4-甲苯基)丙酸乙酯 | 94104-32-2

• 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
• 中文名称: 3-氨基-3-(4-甲苯基)丙酸乙酯
• 英文名称: ethyl 3-amino-3-(4-tolyl)propionate
• 英文别名: Ethyl 3-amino-3-(4-methylphenyl)propanoate
• CAS: 94104-32-2
• 化学式: C₁₂H₁₇NO₂
• mdl: MFCD02110514
• 分子量: 207.272
• InChiKey: JOQNRQTYBXMXQY-UHFFFAOYSA-N

物化性质

• 沸点：
  318.2±30.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氨基-3-(4-甲苯基)丙酸乙酯 在 air 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 5,6a-diphenyl-3a-(p-tolyl)-3a,6a-dihydro-2H-furo<3,2-b>pyrrole-2,6(3H)-dione
  参考文献：
  名称：

  A Novel Formation of 2,6-Dioxo-3,3a, 6, 6a-tetrahydro-2H-furo[3,2-b]pyrroles

  摘要：

  DOI：

  10.1055/s-1984-30925

文献信息

• Carboxylic acid derivatives that inhibit the binding of integrins to their receptors
  申请人：——

  公开号：US20040063955A1

  公开（公告）日：2004-04-01

  A method for the inhibition of the binding of &agr; 4 &bgr; 1 integrin to its receptors, for example VCAM-1 (vascular cell adhesion molecule-1) and fibronectin; compounds that inhibit this binding; pharmaceutically active compositions comprising such compounds; and to the use of such compounds either a above, or in formulations for the control or prevention of diseases states in which &agr; 4 &bgr; 1 is involved.

  一种用于抑制α4β1整合素与其受体结合的方法，例如VCAM-1（血管细胞粘附分子-1）和纤维连接蛋白；抑制这种结合的化合物；包含这些化合物的药用活性组合物；以及使用这些化合物来控制或预防涉及α4β1的疾病状态的配方。
• Chiral Lewis Base-Catalyzed, Enantioselective Reduction of Unprotected β-Enamino Esters with Trichlorosilane
  作者：Jianheng Ye、Chao Wang、Lin Chen、Xinjun Wu、Li Zhou、Jian Sun

  DOI：10.1002/adsc.201501061

  日期：2016.3.31

  reduction of N‐unsubstituted β‐enamino esters represents a major challenge for asymmetric catalysis. In this paper, the first organocatalytic system that could be used for the asymmetric hydrosilylation of N‐unsubstituted β‐enamino esters has been developed. Using N‐tert‐butylsulfinyl‐L‐proline‐derived amides and L‐pipecolinic acid‐derived formamides as catalyst, a broad range of β‐aryl‐ and β‐alkyl‐substituted

  N-未取代的β-烯胺酯的催化不对称还原是不对称催化的主要挑战。在本文中，开发了第一个可用于N-未取代的β-烯氨基酯不对称氢化硅烷化的有机催化体系。使用ñ -叔-butylsulfinyl-大号脯氨酸衍生的酰胺和大号-pipecolinic酸衍生甲酰胺作为催化剂，广泛β -芳基-和β-烷基取代的游离β氨基酯可以以高产率制备，并且对映选择性。（R）-3-氨基-3-苯基丙酸乙酯和异丙基（S）-3-氨基-4-（2,3,5-三氟苯基）丁酸酯。所得产品可以通过短合成途径顺利转化为FDA批准的药物达泊西汀和西他列汀。
• [EN] SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS SUBSTITUÉS DE L'ACIDE 3-HÉTÉROAROYLAMINO-PROPIONIQUE ET LEUR UTILISATION COMME COMPOSÉS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2012101197A1

  公开（公告）日：2012-08-02

  The present invention relates to compounds of the formula (I), wherein A, D, E, L, G, R10, R30, R40, R50 and R60 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. They are inhibitors of the protease cathepsin A, and are useful for the treatment of diseases such as atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式(I)的化合物，其中A、D、E、L、G、R10、R30、R40、R50和R60具有所述权利要求中指示的含义，它们是有价值的药物活性化合物。它们是蛋白酶卡特普西A的抑制剂，可用于治疗动脉硬化、心力衰竭、肾脏疾病、肝脏疾病或炎症性疾病等疾病。本发明还涉及式(I)化合物的制备方法、它们的用途以及包含它们的药物组合物。
• SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：RUF Sven

  公开号：US20120252809A1

  公开（公告）日：2012-10-04

  The present invention relates to compounds of the formula I, wherein A, D, E, L, G, R 10 , R 30 , R 40 , R 50 and R 60 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. They are inhibitors of the protease cathepsin A, and are useful for the treatment of diseases such as atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A、D、E、L、G、R10、R30、R40、R50和R60具有声明中指示的含义，它们是有价值的药物活性化合物。它们是蛋白酶卡特普西林A的抑制剂，可用于治疗动脉硬化、心力衰竭、肾脏疾病、肝脏疾病或炎症性疾病等疾病。此外，本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的制药组合物。
• 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto
  申请人：Yamamoto Yasuhito

  公开号：US20060178433A1

  公开（公告）日：2006-08-10

  The present invention is to provide an n-alkyl 3-amino-3-arylpropionate represented by the formula (I): wherein Ar 1 represents an aryl group which may have a substituent(s), provided that a phenyl group and 4-methoxyphenyl group are excluded, R 1 represents an n-propyl group or an n-butyl group, and a process for preparing the same, and its optically active compound and an optically active (S or R)-3-amino-3-arylpropionic acid represented by the formula (III-a): wherein Ar represents an aryl group which may have a substituent(s), and * represents an asymmetric carbon, and a process for preparing an optically active n-alkyl (R or S)-3-amino-3-arylpropionate represented by the formula (IV-a): wherein Ar and R 1 have the same meanings as defined above, * represents an asymmetric carbon, provided that it has a reverse absolute configuration to the compound of the formula (III-a).

  本发明提供了一种n-烷基3-氨基-3-芳基丙酸酯，其化学式表示为(I)：其中，Ar1表示一个芳基基团，可以具有一个或多个取代基，但不包括苯基和4-甲氧基苯基；R1表示一个n-丙基基团或n-丁基基团。本发明还提供了制备该化合物的方法，以及其光学活性化合物和光学活性(S或R)-3-氨基-3-芳基丙酸的化学式表示为(III-a)：其中，Ar表示一个芳基基团，可以具有一个或多个取代基，*表示一个不对称碳，以及制备光学活性n-烷基(R或S)-3-氨基-3-芳基丙酸酯的方法，其化学式表示为(IV-a)：其中，Ar和R1的含义与上述定义相同，*表示一个不对称碳，但其绝对构型与化合物的化学式(III-a)相反。