3-bromo-2,2-dimethylpropyl acetate | 3492-41-9

• 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: 3-bromo-2,2-dimethylpropyl acetate
• 英文别名: 3-Brom-2,2-dimethyl-propylacetat；(3-bromo-2,2-dimethylpropyl) acetate
• CAS: 3492-41-9
• 化学式: C₇H₁₃BrO₂
• 分子量: 209.083
• InChiKey: YRVSYVPAIOYEKX-UHFFFAOYSA-N

物化性质

• 沸点：
  85-95 °C(Press: 26 Torr)
• 密度：
  1.300±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915390090

反应信息

• 作为反应物：
  描述：

  3-bromo-2,2-dimethylpropyl acetate 在 水 、 caesium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~100.0 ℃ 、101.33 kPa 条件下， 生成 2,2-dimethyl-3-(4-(7-morpholino-5-(3-phenyl-1H-pyrazol-1-yl)furo[3,2-b]pyridin-2-yl)-1H-pyrazol-1-yl)propan-1-ol
  参考文献：
  名称：

  [EN] 7-MORPHOLINO-5-(3-PHENYL-1 H-PYRAZOL-1 -YL)-FURO[3,2-B]PYRIDINE DERIVATIVES AND SIMILAR COMPOUNDS AS PIKFYVE KINASE INHIBITORS FOR THE TREATMENT OF E.G. AMYOTROPHIC LATERAL SCLEROSIS (ALS)
  [FR] DÉRIVÉS DE 7-MORPHOLINO-5-(3-PHÉNYL-1H-PYRAZOL-1-YL)-FURO[3,2-B]PYRIDINE ET COMPOSÉS SIMILAIRES SERVANT D'INHIBITEURS DE LA PIKFYVE KINASE POUR LE TRAITEMENT PAR EXEMPLE, DE LA SCLÉROSE LATÉRALE AMYOTROPHIQUE (ALS)

  摘要：

  The present invention relates to compounds of formula (I) that are inhibitors of PlKfyve kinase and are therefore useful for the treatment of e.g. neurological diseases, such as e.g. amyotrophic lateral sclerosis (ALS), Parkinson's disease, Alzheimer's disease, Huntington's disease, ADHD, schizophrenia, depression, or bipolar disorder. An exemplary compound is e.g. 7-morpholino-5-(3-phenyl-lH- pyrazol-l-yl)-2-(lH-pyrazol-4-yl)furo[3, 2-b]pyridine (compound 10) Data on the PlKfyve kinase inhibition are provided, e.g.:

  公开号：

  WO2022256299A1
• 作为产物：
  描述：

  2,2-二甲基-3-羟基丙醛 在 氢氧化钾 、 氢溴酸 作用下， 生成 3-bromo-2,2-dimethylpropyl acetate
  参考文献：
  名称：

  Fourneau; Benoit; Firmenich, Bulletin de la Societe Chimique de France, 1930, vol. <4>47, p. 869

  摘要：

  DOI：

文献信息

• Carbamate and carbazate ketolide antibiotics
  申请人：Pfizer Inc.

  公开号：US06664238B1

  公开（公告）日：2003-12-16

  This invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts and solvates thereof wherein X1, X2, R2, R15, R16 and R6 are as defined herein. The compounds of formula 1 are antibacterial and antiprotozoal agents that may be used to treat various bacterial and protozoal infections and disorders related to such infections. The invention also relates to pharmaceutical compositions containing the compounds of formula 1 and to methods of treating bacterial and protozoal infections by administering the compounds of formula 1.

  这项发明涉及公式1的化合物以及其药用盐和溶剂化合物，其中X1、X2、R2、R15、R16和R6如本文所定义。公式1的化合物是抗菌和抗原虫剂，可用于治疗各种细菌和原虫感染以及与此类感染相关的疾病。该发明还涉及含有公式1化合物的药物组合物，以及通过给予公式1化合物来治疗细菌和原虫感染的方法。
• TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS
  申请人：HEINELT Uwe

  公开号：US20110034451A1

  公开（公告）日：2011-02-10

  The invention relates to novel compounds of formula I where R1, R2, R3, R4, R5, R6, R7, R8, Q1, Q2 and Q3 are each as defined below. The compounds of formula I have antithrombotic activity and inhibit especially protease-activated receptor 1 (PAR1). The invention further relates to a process for preparing the compound of formula I and to the use thereof as a medicament.

  该发明涉及公式I的新化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、Q1、Q2和Q3分别如下定义。公式I的化合物具有抗血栓活性，特别是抑制蛋白酶活化受体1（PAR1）。该发明还涉及制备公式I化合物的方法以及将其用作药物的用途。
• [EN] THIAZOLE DERIVATIVES FOR THE TREATMENT OF ANIMAL TRYPANOSOMIASIS<br/>[FR] DÉRIVÉS DE THIAZOLE POUR LE TRAITEMENT DE LA TRYPANOSOMIASE ANIMALE
  申请人：UNIV DUNDEE

  公开号：WO2016132134A1

  公开（公告）日：2016-08-25

  The present invention relates to a novel class of compounds of general formula (I) wherein R1, R2, R3, R4, R5, R6, R7, X and Y are as defined herein, to their use in human and veterinary medicine, and in the treatment of animal trypanosomiasis in particular, to compositions containing them, to processes for their preparation and to intermediates used in such processes.

  本发明涉及一种新的化合物类别，其一般式为（I），其中R1、R2、R3、R4、R5、R6、R7、X和Y如本文所定义，以及它们在人类和兽医学中的使用，特别是在动物锥虫病治疗中的应用，包括含有它们的组合物，其制备方法以及用于此类方法的中间体。
• Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments
  申请人：Sanofi-Aventis

  公开号：US08076336B2

  公开（公告）日：2011-12-13

  The invention relates to novel compounds of formula I where R1, R2, R3, R4, R5, R6, R7, R8, Q1, Q2 and Q3 are each as defined below. The compounds of formula I have antithrombotic activity and inhibit especially protease-activated receptor 1 (PAR1). The invention further relates to a process for preparing the compound of formula I and to the use thereof as a medicament.

  本发明涉及公式I的新化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、Q1、Q2和Q3分别如下定义。公式I的化合物具有抗血栓活性，特别是抑制蛋白酶活化受体1（PAR1）。本发明还涉及制备公式I化合物的方法以及将其用作药物的用途。
• Amide derivative and use thereof as medicine
  申请人：Maeda Kazuhiro

  公开号：US08816079B2

  公开（公告）日：2014-08-26

  Provided are a novel low-molecular-weight compound that suppresses production of induction type MMPs, particularly MMP-9, rather than production of hemostatic type MMP-2, as well as a prophylactic/therapeutic drug for autoimmune diseases or osteoarthritis. An amide derivative represented by the following formula (I) wherein each symbol is as defined in the specification, or a pharmacologically acceptable salt thereof.

  提供了一种新颖的低分子量化合物，可以抑制诱导型MMPs（特别是MMP-9）的产生，而不是止血型MMP-2的产生，以及用于自身免疫疾病或骨关节炎的预防/治疗药物。该化合物是以下式子（I）所表示的酰胺衍生物，其中每个符号如规范所定义，或其药理学上可接受的盐。