1-(METHYLCARBAMOYL)CYCLOPROPANE-1-CARBOXYLIC ACID | 1250809-34-7

• 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
• 英文名称: 1-(METHYLCARBAMOYL)CYCLOPROPANE-1-CARBOXYLIC ACID
• CAS: 1250809-34-7
• 化学式: C₆H₉NO₃
• mdl: MFCD16669521
• 分子量: 143.142
• InChiKey: ZHKJJVGESBQQBR-UHFFFAOYSA-N

物化性质

• 沸点：
  413.0±24.0 °C(Predicted)
• 密度：
  1.376±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(METHYLCARBAMOYL)CYCLOPROPANE-1-CARBOXYLIC ACID 、 (S)-N-benzhydryl-6-(2,2,2-trifluoro-1-(methylamino)ethyl)pyridin-3-amine 在 吡啶 、 1-丙基磷酸酐 作用下， 以 2-甲基四氢呋喃 为溶剂， 以0.33 g的产率得到(S)-N-(1-(5-(benzhydrylamino)pyridin-2-yl)-2,2,2-trifluoroethyl)-N,N'-dimethylcyclopropane-1,1-dicarboxamide
  参考文献：
  名称：

  [EN] DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS
  [FR] DÉRIVÉS DE DIHYDRO-INDÈNE EN TANT QU'INHIBITEURS DE MALT1

  摘要：

  The present invention relates to compounds that are MALT1 inhibitors. The compounds have the structural formula I defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or disorders associated with MALT1.

  公开号：

  WO2023218203A1
• 作为产物：
  描述：

  1-(2,4,6-Trimethylphenoxy)carbonylcyclopropane-1-carboxylic acid 、 甲胺 以 乙醇 为溶剂， 反应 1.0h， 以92%的产率得到2,4,6-三甲酚
  参考文献：
  名称：

  Arene Oxidation with Malonoyl Peroxides

  摘要：

  Malonoyl peroxide 7, prepared in a single step from the commercially available diacid, is an effective reagent for the Oxidation of aromatics. Reaction of an arene with peroxide 7 at room temperature leads to the corresponding protected phenol which can be unmasked by aminolysis. An ionic mechanism consistent with the experimental findings and supported by isotopic labeling, Hammett analysis, EPR investigations, and reactivity profile studies is proposed.

  DOI：

  10.1021/acs.orglett.5b00953

文献信息

• HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF
  申请人：Wuhan LL Science And Technology Development Co., Ltd.

  公开号：EP3889154A1

  公开（公告）日：2021-10-06

  Disclosed by the invention is a heterocyclic compound, an intermediate, and a preparation method therefor and an application thereof. Provided by the invention are a heterocyclic compound as shown in formula I, and a stereoisomer, a geometric isomer, a tautomer, a nitrogen oxide, a hydrate, a solvate, a metabolite, an ester, a pharmaceutically acceptable salt or a prodrug thereof. The heterocyclic compound hasa high P2X3 antagonistic activity, and has good selectivity, low toxicity, good metabolic stability and little taste influence.

  本发明公开了一种杂环化合物、一种中间体及其制备方法和应用。本发明提供了一种如式 I 所示的杂环化合物及其立体异构体、几何异构体、同分异构体、氧化氮、水合物、溶液、代谢物、酯、药学上可接受的盐或原药。该杂环化合物具有很高的 P2X3 拮抗活性，并且选择性好、毒性低、代谢稳定性好、味道影响小。
• [EN] HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF<br/>[FR] INTERMÉDIAIRE DE COMPOSÉ HÉTÉROCYCLIQUE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 杂环类化合物、中间体、其制备方法及应用
  申请人：WUHAN LL SCIENCE AND TECH DEVELOPMENT CO LTD

  公开号：WO2020135771A1

  公开（公告）日：2020-07-02

  本发明公开了一种杂环类化合物、中间体、其制备方法及应用。本发明提供了一种如式I所示的杂环类化合物、其立体异构体、几何异构体、互变异构体、氮氧化物、水合物、溶剂化物、代谢产物、酯、药学上可接受的盐或前药。该杂环类化合物具有高的P2X3拮抗活性，且具有较好的选择性，毒性较低、代谢稳定性较好、味觉影响较小。
• Arene Oxidation with Malonoyl Peroxides
  作者：Andrei Dragan、Tomasz M. Kubczyk、Julian H. Rowley、Stephen Sproules、Nicholas C. O. Tomkinson

  DOI：10.1021/acs.orglett.5b00953

  日期：2015.6.5

  Malonoyl peroxide 7, prepared in a single step from the commercially available diacid, is an effective reagent for the Oxidation of aromatics. Reaction of an arene with peroxide 7 at room temperature leads to the corresponding protected phenol which can be unmasked by aminolysis. An ionic mechanism consistent with the experimental findings and supported by isotopic labeling, Hammett analysis, EPR investigations, and reactivity profile studies is proposed.
• [EN] DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS<br/>[FR] DÉRIVÉS DE DIHYDRO-INDÈNE EN TANT QU'INHIBITEURS DE MALT1
  申请人：[en]C4X DISCOVERY LIMITED

  公开号：WO2023218203A1

  公开（公告）日：2023-11-16

  The present invention relates to compounds that are MALT1 inhibitors. The compounds have the structural formula I defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or disorders associated with MALT1.