甲基4-异丙基-1H-吡咯-2-羧酸酯 | 7165-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 甲基4-异丙基-1H-吡咯-2-羧酸酯
• 英文名称: methyl 4-isopropyl-1H-pyrrole-2-carboxylate
• 英文别名: methyl 4-isopropyl-2-pyrrolecarboxylate；4-isopropyl-pyrrole-2-carboxylic acid methyl ester；4-Isopropyl-pyrrol-2-carbonsaeure-methylester；4-isopropyl-1H-pyrrole-2-carboxylic acid methyl ester；4-Isopropyl-pyrrol-2-carbonsaeuremethylester；Methyl 4-isopropyl-pyrrole-2-carboxylate；methyl 4-propan-2-yl-1H-pyrrole-2-carboxylate
• CAS: 7165-07-3
• 化学式: C₉H₁₃NO₂
• mdl: MFCD09991924
• 分子量: 167.208
• InChiKey: JFMAEFAAICBJEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  42.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲基4-异丙基-1H-吡咯-2-羧酸酯 在 potassium hydroxide 作用下， 以 三乙二醇 为溶剂， 生成 3-异丙基吡咯
  参考文献：
  名称：

  Effects of sulphur nutrition during potato cultivation on the formation of acrylamide and aroma compounds during cooking

  摘要：

  Lack of sulphur nutrition during potato cultivation has been shown to have profound effects on tuber composition, affecting in particular the concentrations of free asparagine, other amino acids and sugars. This is important because free asparagine and sugars react at high temperatures to form acrylamide, a suspect carcinogen. Free amino acids and sugars also form a variety of other compounds associated with colour and flavour. In this study the volatile aroma compounds formed in potato flour heated at 180 degrees C for 20 min were compared for three varieties of potato grown, with and without sulphur fertiliser. Approximately 50 compounds were quantified in the headspace extracts of the heated flour, of which over 40 were affected by sulphur fertilisation and/or variety. Many of the 41 compounds found at higher concentrations in the sulphur-deficient flour were Strecker aldehydes and compounds formed from their condensation, whereas only one compound, benzaldehyde, behaved in the same way as did acrylamide and was found at higher concentrations in the sulphur-sufficient flour. The reasons for these effects are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2010.03.049
• 作为产物：
  描述：

  4-溴-1H-吡咯-2-羧酸甲酯 在 4-二甲氨基吡啶 、 sodium methylate 、 palladium diacetate 、 caesium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 水 、 乙腈 为溶剂， 反应 2.33h， 生成 甲基4-异丙基-1H-吡咯-2-羧酸酯
  参考文献：
  名称：

  WO2019236957A5

  摘要：

  公开号：

  WO2019236957A5

文献信息

• [EN] PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY<br/>[FR] PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACÉTAMIDES UTILISÉS EN TANT QU'INHIBITEURS DE LA VOIE DE L'INFLAMMASOME NLRP3
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021209539A1

  公开（公告）日：2021-10-21

  The invention relates to novel compounds for use as inhibitors of NLRP3 inflammasone production, wherein such compounds are as defined by compounds of formula (I), Formula (I) and wherein the integers R1, R2 and R3 are defined in the description, and where the compounds may be useful as medicaments, for instance for use in the treatment of a disease or disorder that is associated with NLRP3 inflammasome activity.

  该发明涉及用作NLRP3炎症小体产生抑制剂的新化合物，其中这些化合物由式(I)的化合物定义，式(I)中整数R1、R2和R3在描述中有定义，并且这些化合物可能作为药物有用，例如用于治疗与NLRP3炎症小体活性相关的疾病或疾病。
• Pyrrole aus 3-Alkoxyacroleinen und CH-aciden α-Aminoessigsäure-Derivaten
  作者：Gul Hassan Walizei、Eberhard Breitmaier

  DOI：10.1055/s-1989-27249

  日期：——

  Pyrroles from 3-Alkoxyacroleins and CH-acidic α-Aminoacetic Acid Derivatives 2-Alkoxycarbonylpyrroles and 2-cyanopyrroles 4 are prepared in a one-step synthesis by vinylogous amidation of 3-alkoxyacroleins 1 with glycine ester 2a-c and aminoacetonitrile (2d), followed by basecatalyzed cyclodehydration of the intermediate 3-aminoacroleins 3. The 3-hydroxypropyl function can be introduced into the pyrrole ring by using 3,4-dihyrdo-2H-pyran-5-carbaldehyde (5) as a cyclic 3-alkoxyacrolein.

  由 3-烷氧基丙烯醛和 CH-酸性δ±-氨基乙酸衍生物制备吡咯 2-烷氧基羰基吡咯和 2-氰基吡咯 4 的一步合成法是先用甘氨酸酯 2a-c 和氨基乙腈 (2d) 对 3-烷氧基丙烯醛 1 进行乙烯基酰胺化反应，然后在碱催化下对中间体 3-氨基丙烯醛 3 进行环脱水反应。使用 3,4-二氢-2H-吡喃-5-甲醛 (5) 作为环状 3-烷氧基丙烯醛，可将 3-羟丙基功能引入吡咯环。
• PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS
  申请人：Deng Yongqi

  公开号：US20120114739A1

  公开（公告）日：2012-05-10

  The present invention provides methods for inhibiting mTOR using pyrazolo[1,5-a]pyrimidine compounds and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with mTOR using such compounds.

  本发明提供了使用吡唑并[1,5-a]嘧啶化合物抑制mTOR的方法以及使用这些化合物进行治疗、预防、抑制或改善与mTOR相关的一种或多种疾病的方法。
• Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors
  申请人：Gagliardi Stefania

  公开号：US20090203737A1

  公开（公告）日：2009-08-13

  The present invention relates to new compounds which are Pyrrole derivatives of formula (I) wherein A, B, P, Q 5 W, R 1 and R 2 are defined in the description. Invention compounds are useful in the prevention or treatment of central or peripheral nervous system disorders as well as other disorders modulated by mGluR5 receptors.

  本发明涉及新的化合物，它们是公式（I）的吡咯衍生物，其中A、B、P、Q5W、R1和R2在说明中有定义。发明化合物在预防或治疗中枢或外周神经系统疾病以及其他受mGluR5受体调节的疾病方面很有用。
• PRC1 inhibitors and methods of treatment therewith
  申请人：The Regents of the University of Michigan

  公开号：US11319302B2

  公开（公告）日：2022-05-03

  Provided herein are small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) activity, and methods of use thereof for the treatment of disease, including leukemia and other cancers, as well as other diseases dependent on the activity of PRC1.

  本文提供了多聚核酸抑制复合体 1（PRC1）活性的小分子抑制剂及其用于治疗疾病的方法，包括白血病和其他癌症，以及依赖于 PRC1 活性的其他疾病。

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