(±)‐phenylalanine allyl ester | 88223-99-8

• 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: (±)‐phenylalanine allyl ester
• 英文别名: DL-Phenylalanin-allylester；Prop-2-enyl 2-amino-3-phenylpropanoate
• CAS: 88223-99-8
• 化学式: C₁₂H₁₅NO₂
• 分子量: 205.257
• InChiKey: CDFATPKAADNQOR-UHFFFAOYSA-N

物化性质

• 沸点：
  308.8±27.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  (±)‐phenylalanine allyl ester 、 异氰酸正丁酯 在 polymer-bound 4-chloro-3-hydroxymethylphenyldiazonium*BF₄ 、 三氟乙酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 2.58h， 生成 Prop-2-enyl 2-(butylcarbamoylamino)-3-phenylpropanoate
  参考文献：
  名称：

  The First Stable Diazonium Ion on Solid Support—Investigations on Stability and Usage as Linker and Scavenger in Solid-Phase Organic Synthesis

  摘要：

  DOI：

  10.1002/1521-3773(20001016)39:20<3681::aid-anie3681>3.0.co;2-b

文献信息

• Carboxylic acid derivatives as IP antagonists
  申请人：——

  公开号：US20010056100A1

  公开（公告）日：2001-12-27

  This invention relates to compounds which are generally IP receptor antagonists and which are represented by Formula I: 1 wherein: R 1 , R 2 , and R 3 are each independently in each occurrence aryl or heteroaryl; R 4 is —COOH or tetrazolyl; A, B, m, n, and r are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, methods for their use as therapeutic agents, and processes for their preparation.

  这项发明涉及一类通常为IP受体拮抗剂的化合物，其由以下式I表示： 其中： R1、R2和R3在每次出现时各自独立地为芳基或杂环芳基； R4为—COOH或四唑基； A、B、m、n和r如规范中定义； 或其各个异构体、外消旋或非外消旋异构体混合物，或其药用可接受盐或溶剂合物。该发明还涉及含有这种化合物的药物组合物，以及将其用作治疗剂的方法和其制备方法。
• Rheology control agents
  申请人：Lenges Peter Christian

  公开号：US20060155146A1

  公开（公告）日：2006-07-13

  The present invention provides for a rheology control agent that includes a following compound represented by the following formula: wherein A, B, C and D equal CH 2 , CHR, NH, or O, and A, B, C and D may be the same or different and at least one of A and B equals NH and at least one of C and D equals NH; and wherein R 1 , R 2 , and R 3 may be the same or different and represent a linear, branched, hyper-branched, or dendritic ether, polyether or hydrocarbon based chain, optionally forming at least one carbon-based ring, being saturated or unsaturated and R 2 represents linear or branched alkylenes, ethers, polyethers, or polyester linkages and at least one of R 1 , R 2 , and R 3 comprises an ester group or an amide group which is branched off from the main chain; excluded from Formula (1) is a compound wherein R 2 is CH 2 —CH 2 —CH 2 —CH 2 —CH(C(O)OCH 3 ), A, B, C, and D are equal to NH and R 1 and R 3 are both equal to a linear octyl hydrocarbon chain; the rheology control agent is suitable for solvent-borne and water-borne coating composition having improved rheology control useful for OEM refinishing or repainting the exterior of automobile and truck bodies and parts thereof.

  本发明提供了一种流变控制剂，包括下式所示的化合物：其中A、B、C和D等于CH2、CHR、NH或O，A、B、C和D可以相同也可以不同，且至少有一个A和B等于NH，至少有一个C和D等于NH；R1、R2和R3可以相同也可以不同，表示线性、支链、超支链或树枝状醚、聚醚或碳氢基链，可选地形成至少一个碳基环，饱和或不饱和，其中R2表示线性或支链烷基、醚、聚醚或聚酯键合，且R1、R2和R3中至少有一个包括从主链上分支出的酯基或酰胺基；式（1）中不包括R2为CH2—CH2—CH2—CH2—CH(C(O)OCH3)、A、B、C和D均等于NH，且R1和R3均等于线性辛基碳氢链的化合物；该流变控制剂适用于改善流变控制的溶剂型和水性涂料组合物，可用于汽车和卡车车身及其零部件的OEM翻新或重新涂装。
• A simple quantitative chiral analysis of amino acid esters by fluorine-19 nuclear magnetic resonance using the modified James-Bull method
  作者：Naoto Hamaguchi、Yuta Okuno、Yohei Oe、Tetsuo Ohta

  DOI：10.1002/chir.23028

  日期：2019.1

  A simple chiral analysis of amino acid esters by fluorine‐19 nuclear magnetic resonance (19F NMR) through the modified James–Bull method is described. Thus, amino acid ester acid salt was treated with 5‐fluoro‐2‐formylphenylboronic acid and (S)‐BINOL in the presence of triethylamine (TEA) and MS4A for 10 minutes. The reaction mixture was analysed by 19F NMR directly to afford good quantifications.

  描述了通过改良的James-Bull方法通过氟19核磁共振（19 F NMR）对氨基酸酯进行的简单手性分析。因此，在三乙胺（TEA）和MS4A存在下，用5-氟-2-甲酰基苯基硼酸和（S）-BINOL处理氨基酸酸酯盐10分钟。通过19 F NMR直接分析反应混合物以提供良好的定量。
• [EN] PROCESS OF MAKING OPTICALLY PURE MELPHALAN<br/>[FR] PROCÉDÉ PERMETTANT DE PRODUIRE DU MELPHALAN OPTIQUEMENT PUR
  申请人：NAVINTA LLC

  公开号：WO2009117164A1

  公开（公告）日：2009-09-24

  This invention provides a process of making 4-(bis-(2-hydroxyethyl)amino)-L-phenylalanine of the formula (I) by hydroxyethylation, in a regioselective manner, of the aromatic amino group rather than the glycinic amino group.

  本发明提供了一种制备4-（双（2-羟乙基）氨基）-L-苯丙氨酸式（I）的方法，通过对芳香族氨基而非甘氨酸氨基进行区域选择性的羟乙基化。
• [EN] CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS<br/>[FR] DERIVES D'ACIDE CARBOXYLIQUE UTILISES COMME DES ANTAGONISTES D'IP
  申请人：HOFFMANN LA ROCHE

  公开号：WO2001068591A1

  公开（公告）日：2001-09-20

  This invention relates to compounds which are generally IP receptor antagonists and which are represented by Formula (I) wherein R?1, R2, and R3¿ are each independently in each occurrence aryl or heteroaryl, R4 is -COOH or tetrazolyl, A, B, m, n, and r are as defined in the specification; or individual isomers, racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, processes for their preparation and their use as therapeutic agents.

  本发明涉及一类化合物，通常为IP受体拮抗剂，其由式（I）表示，其中R1、R2和R3在每次出现时均独立地为芳基或杂环芳基，R4为-COOH或四唑基，A、B、m、n和r如规范中所定义；或其各个异构体，混合物，或其药学上可接受的盐或溶剂。本发明还涉及含有这种化合物的药物组合物，其制备方法以及作为治疗剂的用途。