methyl ester of N-acryloy-β-alanine | 86710-95-4

• 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: methyl ester of N-acryloy-β-alanine
• 英文别名: N-2-methoxycarbonylethylacrylamide；N-acryloyl-β-alanine methyl ester；Methyl 3-(prop-2-enamido)propanoate；methyl 3-(prop-2-enoylamino)propanoate
• CAS: 86710-95-4
• 化学式: C₇H₁₁NO₃
• mdl: MFCD00085221
• 分子量: 157.169
• InChiKey: BLHVTCUBXYZCDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl ester of N-acryloy-β-alanine 在 PhCH=RuCH[(Mes)NCH=CHN(Mes)](PCy₃)Cl₂ 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以62%的产率得到N,N'-bis(2-methoxycarbonylethyl)fumaric diamide
  参考文献：
  名称：

  通过包括复分解和氨基羟基化的催化序列合成小三肽分子。

  摘要：

  通过使用两个独立的连续催化程序的组合合成三肽结构。N-丙烯酰基氨基酸酯的交叉复分解产生具有独有的E双键几何结构的富马酰胺化合物。这代表了这种反应中完全双键选择性的前所未有的例子。随后进行手性富马酰胺的不对称氨基羟基化反应，不需要任何其他配体，收率高且无副产物。该反应将中心富马酰胺单元转化为羟基天冬氨酸部分，并依赖于起始富马二酰胺的固有立体化学。我们序列的另一个特征是在氨基羟基化反应中易于产生立体化学多样化。作为结果，快速的构象和构型多样化可以从整个两步催化序列中实现。从两种不同的N-丙烯酰基氨基酯开始证明了这种方法的多功能性，这导致了八个结构和立体化学上不同的三肽的合成，这些三肽都可以单独鉴定。这样，本发明的两步催化方法应用于有效地合成大家族的三肽分子探针。

  DOI：

  10.1002/chem.200501123
• 作为产物：
  描述：

  3-氨基丙酸甲酯盐酸盐 、 丙烯酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 methyl ester of N-acryloy-β-alanine
  参考文献：
  名称：

  通过包括复分解和氨基羟基化的催化序列合成小三肽分子。

  摘要：

  通过使用两个独立的连续催化程序的组合合成三肽结构。N-丙烯酰基氨基酸酯的交叉复分解产生具有独有的E双键几何结构的富马酰胺化合物。这代表了这种反应中完全双键选择性的前所未有的例子。随后进行手性富马酰胺的不对称氨基羟基化反应，不需要任何其他配体，收率高且无副产物。该反应将中心富马酰胺单元转化为羟基天冬氨酸部分，并依赖于起始富马二酰胺的固有立体化学。我们序列的另一个特征是在氨基羟基化反应中易于产生立体化学多样化。作为结果，快速的构象和构型多样化可以从整个两步催化序列中实现。从两种不同的N-丙烯酰基氨基酯开始证明了这种方法的多功能性，这导致了八个结构和立体化学上不同的三肽的合成，这些三肽都可以单独鉴定。这样，本发明的两步催化方法应用于有效地合成大家族的三肽分子探针。

  DOI：

  10.1002/chem.200501123

文献信息

• Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors
  申请人：Bienayme Hugues

  公开号：US20090042876A1

  公开（公告）日：2009-02-12

  The present invention relates to inhibitors of protein kinases of formula I: which can be used in the treatment of various diseases, notably cancer, inflammation or disorders of the central nervous system. It also relates to pharmaceutical compositions containing the compounds according to the invention and their use in therapy.

  本发明涉及式I的蛋白激酶抑制剂，可用于治疗各种疾病，特别是癌症、炎症或中枢神经系统疾病。还涉及含有根据本发明的化合物的药物组合物及其在治疗中的应用。
• Solid-phase synthesis using a new polyacrylic resin
  作者：Bernard Calas、Jean Mery、Joseph Parello、Adrien Cave

  DOI：10.1016/s0040-4020(01)96786-9

  日期：1985.1

  The solid-phase synthesis of the octapeptide 1 AcGly-Ala-Lys-Arg-His-Arg-Lys-ValOMe, which represents the fragment 14-21 of the amino acid sequence of the chromosomal histone H4, as well as of the structurally related nonapeptide 2 AcGly-Ala-Lys-Leu-Arg-His-Arg-Lys-ValOMe, is described using a new polyacrylic resin containing a glycolamide ester linkage(resin-NHCO-CH2-OCO-peptide) acting as a labile

  八肽1 AcGly-Ala-Lys-Arg-His-Arg-Lys-ValOMe的固相合成，它代表染色体组蛋白H4的氨基酸序列的片段14-21，以及结构上相关的九肽2 AcGly-Ala-Lys-Leu-Arg-His-Arg-Lys-ValOMe被描述为使用一种新的聚丙烯酸酯树脂，该树脂含有作为不稳定锚定部分的甘醇酰胺酯键（树脂-NHCO-CH 2 -OCO-肽）在树脂和肽之间。
• Pyrroloquinoline derivatives and their use as protein kinases inhibitors
  申请人：Bienayme Hugues

  公开号：US08426437B2

  公开（公告）日：2013-04-23

  The present invention relates to inhibitors of protein kinases of formula I: which can be used in the treatment of various diseases, notably cancer, inflammation or disorders of the central nervous system. It also relates to pharmaceutical compositions containing the compounds according to the invention and their use in therapy.

  本发明涉及公式I的蛋白激酶抑制剂，可用于治疗各种疾病，尤其是癌症、炎症或中枢神经系统疾病。还涉及包含本发明化合物的制药组合物及其在治疗中的应用。
• POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE
  申请人：Sakamoto Kei

  公开号：US20100258764A1

  公开（公告）日：2010-10-14

  A polymerizable liquid crystal compound shown by the following formula (I), a polymerizable liquid crystal composition that includes the polymerizable liquid crystal compound and a chiral compound polymerizable with the polymerizable liquid crystal compound, a liquid crystalline polymer obtained by polymerizing the polymerizable liquid crystal compound or the polymerizable liquid crystal composition, and an optical anisotropic article that includes the liquid crystalline polymer. The polymerizable liquid crystal compound shows a liquid crystal phase over a wider temperature range, is chemically stable, can be inexpensively produced, and has a wide selective reflection wavelength band Δλ (i.e., a large value Δn). The polymerizable liquid crystal composition includes the polymerizable liquid crystal compound, the liquid crystalline polymer is obtained by polymerizing the polymerizable liquid crystal compound or the polymerizable liquid crystal composition, and the optical anisotropic article includes the liquid crystalline polymer. wherein Y 1 to Y 6 represent —O—, —O—C(═O)—, —C(═O)—O—, or the like, G 1 and G 2 represent divalent aliphatic groups having 1 to 20 carbon atoms, Z 1 and Z 2 represent an alkenyl group having 2 to 10 carbon atoms or the like, A 1 and A 2 represent divalent organic groups A having 1 to 30 carbon atoms, X 1 to X 8 represent a hydrogen atom or the like, and a and b represent 0 or 1.
• POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS
  申请人：Sakamoto Kei

  公开号：US20110140041A1

  公开（公告）日：2011-06-16

  A polymerizable liquid crystal compound shown by the following formula, a polymerizable liquid crystal composition that includes the polymerizable liquid crystal compound and a chiral compound polymerizable with the polymerizable liquid crystal compound, a liquid crystalline polymer obtained by polymerizing the polymerizable liquid crystal compound or the polymerizable liquid crystal composition, and an optically anisotropic article that includes the liquid crystalline polymer, are disclosed. wherein Y 1 to Y 6 represent —O—C(═O)— or the like, G 1 and G 2 represent a divalent aliphatic group having 1 to 20 carbon atoms or the like, Z 1 and Z 2 represent an alkenyl group having 2 to 10 carbon atoms or the like, A 1 and A 2 represent a divalent organic group having 1 to 30 carbon atoms, M 1 and M 2 represent a substituted or unsubstituted 2,6-naphthylene group or a substituted or unsubstituted 1,4-phenylene group, provided that at least one of M 1 and M 2 represents a substituted or unsubstituted 2,6-naphthylene group, L 1 and L 2 represent a hydrogen atom or the like, and a and b are 0 or 1. A polymerizable liquid crystal compound that shows a liquid crystal phase over a wide temperature range, is chemically stable, can be produced inexpensively, and has a wide selective reflection wavelength band Δλ (i.e., a large value Δn); a polymerizable liquid crystal composition that includes the compound; a liquid crystalline polymer; and a optically anisotropic article that includes the liquid crystalline polymer as a constituting material; can be provided.