(3S)-3-氨基-3-(2-呋喃基)丙酸 | 131829-49-7

• 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: (3S)-3-氨基-3-(2-呋喃基)丙酸
• 中文别名: S-3-氨基-3-(2-呋喃基)丙酸
• 英文名称: (S)-3-amino-3-(2-furyl)propanoic acid
• 英文别名: (3S)-3-azaniumyl-3-(furan-2-yl)propanoate
• CAS: 131829-49-7
• 化学式: C₇H₉NO₃
• mdl: MFCD01014233
• 分子量: 155.153
• InChiKey: YIKVKIOGYSPIMP-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2932190090

反应信息

• 作为反应物：
  描述：

  (3S)-3-氨基-3-(2-呋喃基)丙酸 在 盐酸 作用下， 以 乙醇 为溶剂， 以100%的产率得到(S)-3-amino-3-(2-furyl)propanoic hydrochloride
  参考文献：
  名称：

  Burkholderia cepacia lipase is an excellent enzyme for the enantioselective hydrolysis of β-heteroaryl-β-amino esters

  摘要：

  The enantioselective (E > 200) lipase PS-catalysed hydrolysis of beta-heteroaryl-beta-amino esters is described. The reactions were performed with H2O (0.5 equiv) in either diisopropyl ether or tert-butyl methyl ether at 25 degrees C. The resulting beta-heteroaryl-substituted beta-amino acid enantiomers were formed in high enantiomeric excess (ee >= 97%) and in good yield (>= 40%). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.06.019
• 作为产物：
  描述：

  ethyl 3-amino-3-(2-furyl)propanoate 在 水 作用下， 以 异丙醚 为溶剂， 反应 60.0h， 生成 (3S)-3-氨基-3-(2-呋喃基)丙酸 、 ethyl (R)-3-amino-3-(2-furyl)propanoate
  参考文献：
  名称：

  Burkholderia cepacia lipase is an excellent enzyme for the enantioselective hydrolysis of β-heteroaryl-β-amino esters

  摘要：

  The enantioselective (E > 200) lipase PS-catalysed hydrolysis of beta-heteroaryl-beta-amino esters is described. The reactions were performed with H2O (0.5 equiv) in either diisopropyl ether or tert-butyl methyl ether at 25 degrees C. The resulting beta-heteroaryl-substituted beta-amino acid enantiomers were formed in high enantiomeric excess (ee >= 97%) and in good yield (>= 40%). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.06.019

文献信息

• Enzymatic encoding methods for efficient synthesis of large libraries
  申请人：Nuevolution A/S

  公开号：EP2341140A1

  公开（公告）日：2011-07-06

  Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

  本发明公开了一种获得双功能复合物的方法，该复合物由与单链标识寡核苷酸相连的分子组成，其中包含化学反应位点和用于酶加标记的引物位点的新生双功能复合物 a) 在化学反应位点与一种或多种反应物反应，b) 在引物位点与一种或多种标识反应物的标记进行酶反应。
• ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES
  申请人：Nuevolution A/S

  公开号：EP3305900A1

  公开（公告）日：2018-04-11

  Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

  本发明公开了一种获得双功能复合物的方法，该复合物由与单链标识寡核苷酸相连的分子组成，其中包含化学反应位点和用于酶加标记的引物位点的新生双功能复合物 a) 在化学反应位点与一种或多种反应物反应，b) 在引物位点与一种或多种标识反应物的标记进行酶反应。
• Development of a Commercial Process for (<i>S</i>)-β-Phenylalanine
  作者：J. Ian Grayson、Jürgen Roos、Steffen Osswald

  DOI：10.1021/op200084g

  日期：2011.9.16

  The development of a commercial manufacturing route for (S)-beta-phenylalanine 8, a key pharmaceutical building block, is described. The different approaches which were investigated, based on catalytic asymmetric hydrogenation of enamide intermediates and on biocatalysis using acylase and lipase hydrolyses, are compared. The lipase resolution route was chosen for scale-up, and the final two-step process, based on readily available raw materials, is shown to be robust at full manufacturing scale
• US9574189B2
  申请人：——

  公开号：US9574189B2

  公开（公告）日：2017-02-21
• [EN] ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES<br/>[FR] PROCEDES DE CODAGE ENZYMATIQUE DESTINES A LA SYNTHESE EFFICACE DE BIBLIOTHEQUES IMPORTANTES
  申请人：NUEVOLUTION AS

  公开号：WO2007062664A2

  公开（公告）日：2007-06-07

  [EN] Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).
  [FR] L'invention concerne un procédé permettant d'obtenir un complexe bifonctionnel comprenant une molécule liée à un oligonucléotide identificateur monocaténaire, un complexe bifonctionnel à l'état naissant comprenant un site de réaction chimique et un site d'amorçage destiné à une addition enzymatique d'une étiquette étant: a) mis à réagir au niveau du site de réaction chimique avec un ou plusieurs réactifs, et b) mis à réagir sur le plan enzymatique au niveau du site d'amorçage avec une ou plusieurs étiquettes identifiant les réactifs.