methyl 3-formyl-4-hydroxy-5-methoxybenzoate | 200286-04-0

• 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: methyl 3-formyl-4-hydroxy-5-methoxybenzoate
• CAS: 200286-04-0
• 化学式: C₁₀H₁₀O₅
• 分子量: 210.186
• InChiKey: JEKZAGPYGHPKHC-UHFFFAOYSA-N

物化性质

• 沸点：
  339.0±42.0 °C(Predicted)
• 密度：
  1.302±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：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3-formyl-4-hydroxy-5-methoxybenzoate 在 盐酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以135 mg的产率得到methyl 4-hydroxy-5-methoxy-3-methylbenzoate
  参考文献：
  名称：

  EP3459941

  摘要：

  公开号：
• 作为产物：
  描述：

  7-methoxy-5-methoxycarbonyl-2-methylbenzo[b]furan 在 N-溴代丁二酰亚胺(NBS) 、 四氧化锇 、 过氧化氢苯甲酰 、 sodium hydrogensulfite 作用下， 以 苯 为溶剂， 反应 5.25h， 生成 methyl 3-formyl-4-hydroxy-5-methoxybenzoate
  参考文献：
  名称：

  Ring-Expansion of 2-Methylbenzo[b]furan to 3-Hydroxychromen-4-one: A Potential Approach to a Flavonol Skeleton

  摘要：

  A 2-methylbenzo[b]furan, prepared by the CsF-mediated Claisen rearrangement of a phenyl propargyl ether, could be smoothly transformed into a 3-hydroxychromen-4-one, a potential flavonol skeleton, by three successive treatment with NBS, OsO4, and Na2SO3.

  DOI：

  10.3987/com-97-7947

文献信息

• Syntheses, Structures, and Magnetic Properties of Symmetric and Dissymmetric Ester‐Functionalized 3d‐4f Schiff Base Complexes
  作者：Virginie Béreau、Sébastien Dhers、Jean‐Pierre Costes、Carine Duhayon、Jean‐Pascal Sutter

  DOI：10.1002/ejic.201701129

  日期：2018.1.10

  Ester-functionalized bi-compartmental Schiff-base ligand and their 3d-Ln complexes with 3d = Ni(II), Cu(II) or Zn(II) and Ln = Gd(III), Tb(III) or Dy(III) are reported. The modularity of the Schiff-base structure (i.e. symmetric vs dissymmetric, ester-group) is illustrated to highlight the possibility offered by the ester for facile functionalization at the periphery of the ligand, in addition of its

  酯官能化的双室希夫碱配体及其 3d-Ln 配合物，其中 3d = Ni(II)、Cu(II) 或 Zn(II) 且 Ln = Gd(III)、Tb(III) 或 Dy(III)被报道。席夫碱结构的模块化（即对称与不对称，酯基团）被说明以突出酯提供的可能性在配体外围进行简便的官能化，以及其对络合核的吸电子作用. 在酯官能团处引入手性池（即薄荷基）导致手性转移到固态 Ln 的配位范围。已发现几种 3d-4f 复合物结晶为 NO3-或 OH-桥连化合物。报告了所有 3d-4f 复合物的晶体结构和磁性行为。
• Bi‐Compartmental Schiff‐Base with Peripheral Ester Functionalization: Synthesis and Magnetic Behavior of Bimetallic Zn‐Ln Complexes (Ln = Dy, Tb, Gd)
  作者：Virginie Béreau、Hélène Bolvin、Carine Duhayon、Jean‐Pascal Sutter

  DOI：10.1002/ejic.201600924

  日期：2016.11

  A novel ester-functionalized bi-compartmental Schiff-base ligand and its dinuclear Zn-Ln complexes [Ln = Dy (1), Tb (2), Gd (3)] are reported herein. Athough electron-withdrawing substituents at the para position of the phenol moieties do not change the coordination environment of the Ln centers in comparison with the nonfunctionalized ligand, they have a clear steric effect on the crystal packing

  本文报道了一种新型酯官能化双室希夫碱配体及其双核 Zn-Ln 配合物 [Ln = Dy (1), Tb (2), Gd (3)]。尽管与非官能化配体相比，苯酚部分对位的吸电子取代基不会改变 Ln 中心的配位环境，但它们对晶体堆积有明显的空间效应并改变中心配体核心的配位强度. 这可以通过双室希夫碱配体对 Ln 配位的非典型反应性来说明，并且与非功能化配体相比，其与稀土离子的键长更长也证实了这一点。报告了两个系列配合物的晶体结构、磁性行为和从头计算。
• PYRROLIDINE DERIVATIVE
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP3459941A1

  公开（公告）日：2019-03-27

  The present invention aims to provide a novel compound which has CGRP receptor antagonist activity and which is useful for the treatment of various diseases mediated by CGRP receptors. That is, the present invention relates to the pyrrolidine derivatives represented by the following formula (I) or a pharmaceutically acceptable salt thereof. In the formulae, W is ring, X is a carbon atom or the like, Y1 to Y4 are carbon atoms or the like, and R1 to R7 is alkyl or the like. The compounds of the present invention or a pharmaceutically acceptable salt thereof have an excellent CGRP receptor antagonist activity, and thus are useful as agents for the treatment of various diseases mediated by CGRP receptors.

  本发明旨在提供一种新型化合物，该化合物具有 CGRP 受体拮抗剂活性，可用于治疗由 CGRP 受体介导的各种疾病。也就是说，本发明涉及下式（I）所代表的吡咯烷衍生物或其药学上可接受的盐。式中，W为环，X为碳原子或类似物，Y1至Y4为碳原子或类似物，R1至R7为烷基或类似物。本发明的化合物或其药学上可接受的盐具有优异的 CGRP 受体拮抗剂活性，因此可用作治疗由 CGRP 受体介导的各种疾病的药物。
• Pyrrolidine derivative
  申请人：KISSEI PHARMACEUTICAL CO., LTD.

  公开号：US10995084B2

  公开（公告）日：2021-05-04

  The present invention aims to provide a novel compound which has CGRP receptor antagonist activity and which is useful for the treatment of various diseases mediated by CGRP receptors. That is, the present invention relates to the pyrrolidine derivatives represented by the following formula (I) or a pharmaceutically acceptable salt thereof. In the formulae, W is ring, X is a carbon atom or the like, Y1 to Y4 are carbon atoms or the like, and R1 to R7 is alkyl or the like. The compounds of the present invention or a pharmaceutically acceptable salt thereof have an excellent CGRP receptor antagonist activity, and thus are useful as agents for the treatment of various diseases mediated by CGRP receptors.

  本发明旨在提供一种新型化合物，该化合物具有 CGRP 受体拮抗剂活性，可用于治疗由 CGRP 受体介导的各种疾病。也就是说，本发明涉及下式（I）所代表的吡咯烷衍生物或其药学上可接受的盐。式中，W为环，X为碳原子或类似物，Y1至Y4为碳原子或类似物，R1至R7为烷基或类似物。本发明的化合物或其药学上可接受的盐具有优异的 CGRP 受体拮抗剂活性，因此可用作治疗由 CGRP 受体介导的各种疾病的药物。
• Tiemann; Mendelsohn, Chemische Berichte, 1877, vol. 10, p. 398
  作者：Tiemann、Mendelsohn

  DOI：——

  日期：——