(Z)-2-Benzyloxy-3-dimethylamino-acrylic acid methyl ester | 212517-19-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-2-Benzyloxy-3-dimethylamino-acrylic acid methyl ester
• 英文别名: methyl (Z)-3-(dimethylamino)-2-phenylmethoxyprop-2-enoate
• CAS: 212517-19-6
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: XSNNLQBNWWVONY-XFXZXTDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (Z)-2-Benzyloxy-3-dimethylamino-acrylic acid methyl ester 在 sodium acetate 、 溶剂黄146 作用下， 反应 30.0h， 生成 6-Benzyloxy-2,4-dihydroxy-pyrano[2,3-d]pyrimidin-7-one
  参考文献：
  名称：

  The synthesis and transformations of substituted 2-hydroxy-3-dimethylaminopropenoates. The preparation of condensed 3-hydroxypyran-2-ones

  摘要：

  A convenient synthesis of substituted 2-hydroxy-3-dimethylaminopropenoates is reported. They react with cyclic 1,3-diketones, with aromatic and heteroaromatic hydroxy compounds to afford the corresponding 3-substituted hydroxytetrahydro-2H-1-benzopyran-2-ones, benzo- and naphthopyran-2-ones and azolo- and azinopyran-2-ones, respectively. Catalytic debenzylation of 3-benzyloxy substituted fused pyran-2-ones gives free 3-hydroxy derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00534-1
• 作为产物：
  描述：

  Bredereck 试剂 、 2-苯基甲氧基乙酸甲酯 反应 2.0h， 以90%的产率得到(Z)-2-Benzyloxy-3-dimethylamino-acrylic acid methyl ester
  参考文献：
  名称：

  The synthesis and transformations of substituted 2-hydroxy-3-dimethylaminopropenoates. The preparation of condensed 3-hydroxypyran-2-ones

  摘要：

  A convenient synthesis of substituted 2-hydroxy-3-dimethylaminopropenoates is reported. They react with cyclic 1,3-diketones, with aromatic and heteroaromatic hydroxy compounds to afford the corresponding 3-substituted hydroxytetrahydro-2H-1-benzopyran-2-ones, benzo- and naphthopyran-2-ones and azolo- and azinopyran-2-ones, respectively. Catalytic debenzylation of 3-benzyloxy substituted fused pyran-2-ones gives free 3-hydroxy derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00534-1

文献信息

• THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF
  申请人：CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd.

  公开号：EP3686204A1

  公开（公告）日：2020-07-29

  The present invention relates to a class of thienodiazepine derivatives and an application thereof in the preparation of a drug for the treatment of diseases associated with bromodomain and extra-terminal (BET) Bromodomain inhibitors. Specifically, the present invention relates to compounds represented by formulas (I) and (II), as well as pharmaceutically acceptable salts thereof.

  本发明涉及一类噻吩二氮卓衍生物及其在制备治疗与溴多聚酶抑制剂和末端外（BET）溴多聚酶抑制剂相关疾病的药物中的应用。具体地说，本发明涉及由式（I）和（II）代表的化合物及其药学上可接受的盐。
• Pyrido[1,2-A]pyrimidone analog, crystal form thereof, intermediate thereof and preparation method therefor
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：US10479789B2

  公开（公告）日：2019-11-19

  Disclosed in the present invention are a crystalline Form of pyrido[1,2-a]pyrimidone analog, a preparation method therefor and an intermediate thereof.

  本发明公开了吡啶并[1,2-a]嘧啶酮类似物的结晶形式、其制备方法及其中间体。
• Thienodiazepine derivatives and application thereof
  申请人：CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD.

  公开号：US11312726B2

  公开（公告）日：2022-04-26

  The present invention relates to a class of thienodiazepine derivatives and an application thereof in the preparation of a drug for the treatment of diseases associated with bromodomain and extra-terminal (BET) Bromodomain inhibitors. Specifically, the present invention relates to compounds represented by formulas (I) and (II), as well as pharmaceutically acceptable salts thereof.

  本发明涉及一类噻吩二氮卓衍生物及其在制备治疗与溴多聚酶抑制剂和末端外（BET）溴多聚酶抑制剂相关疾病的药物中的应用。具体地说，本发明涉及由式（I）和（II）代表的化合物及其药学上可接受的盐。
• PYRIDO[1,2-A]PYRIMIDONE ANALOG, CRYSTAL FORM THEREOF, INTERMEDIATE THEREOF AND PREPARATION METHOD THEREFOR
  申请人：Chia Tai Tianqing Pharmaceutical Group Co., Ltd.

  公开号：EP3395817B1

  公开（公告）日：2022-02-23
• The synthesis and transformations of substituted 2-hydroxy-3-dimethylaminopropenoates. The preparation of condensed 3-hydroxypyran-2-ones
  作者：Janez Smodiš、Branko Stanovnik

  DOI：10.1016/s0040-4020(98)00534-1

  日期：1998.8

  A convenient synthesis of substituted 2-hydroxy-3-dimethylaminopropenoates is reported. They react with cyclic 1,3-diketones, with aromatic and heteroaromatic hydroxy compounds to afford the corresponding 3-substituted hydroxytetrahydro-2H-1-benzopyran-2-ones, benzo- and naphthopyran-2-ones and azolo- and azinopyran-2-ones, respectively. Catalytic debenzylation of 3-benzyloxy substituted fused pyran-2-ones gives free 3-hydroxy derivatives. (C) 1998 Elsevier Science Ltd. All rights reserved.