1-甲基-5-(1-甲基乙基)-1H-吡唑-3-醇 | 143706-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 1-甲基-5-(1-甲基乙基)-1H-吡唑-3-醇
• 英文名称: 1-methyl-5-(1-methylethyl)-1H-pyrazol-3-ol
• 英文别名: 2-methyl-3-propan-2-yl-1H-pyrazol-5-one
• CAS: 143706-72-3
• 化学式: C₇H₁₂N₂O
• 分子量: 140.185
• InChiKey: FWZXJXMSARXHBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基-5-(1-甲基乙基)-1H-吡唑-3-醇 在 钯 copper(l) iodide 、 1,10-菲罗啉 、 氢气 、 硝酸 、 caesium carbonate 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 甲醇 、 乙酸乙酯 为溶剂， 反应 50.5h， 生成 4-Amino-5-isopropyl-1-methyl-2-pyrimidin-5-yl-1,2-dihydro-pyrazol-3-one
  参考文献：
  名称：

  Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents

  摘要：

  We report the discovery of potent agonists for the human formyl-peptide-like 1 receptor (hFPRL1). These compounds did not act at a closely related receptor denoted human formyl peptide receptor (hFPR) up to 10 mu M concentration. Recent studies have indicated that agonizing this receptor may promote resolution of inflammation. In an exploratory study, a novel hFPRL1 agonist showed efficacy in a mouse ear inflammation model following oral administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.068
• 作为产物：
  描述：

  3-甲基-1-丁炔 在 甲基锂 作用下， 以 甲醇 、 水 为溶剂， 反应 72.33h， 生成 1-甲基-5-(1-甲基乙基)-1H-吡唑-3-醇
  参考文献：
  名称：

  Cyclocondensation of alkylhydrazines and .beta.-substituted acetylenic esters: synthesis of 3-hydroxypyrazoles

  摘要：

  Addition of monosubstituted alkylhydrazines to acetylenic esters with either electron-withdrawing or sterically bulky beta-substituents afforded 1-alkyl-3-hydroxy-5-substituted-pyrazoles 1 as the major regioisomeric product. By comparison, the classical cyclocondensation of alkylhydrazines with beta-keto esters gives the regioisomeric pyrazol-5-ones 2. The reaction solvent employed in these cyclocondensations can have a profound effect on regioisomeric product ratios. Addition of methylhydrazine to 5g in methylene chloride gave regiospecific formation of pyrazolinone 2o, whereas addition in water-methanol mixtures afforded hydroxypyrazole 1o as the major product. Structural assignment of regioisomers 1 and 2 are based on C-13 NMR chemical shifts, long-range heteronuclear coupling constants, and comparisons with regiochemically known hydroxypyrazoles and/or pyrazolinones. Additions of acetylene 5b to 1,1-dimethylhydrazine afforded either acyclic enehydrazone 12 or pyrazolium betaine 13 depending on the reaction conditions.

  DOI：

  10.1021/jo00047a021

文献信息

• THERAPEUTIC CYCLOPENTANE DERIVATIVES
  申请人：Donde Yariv

  公开号：US20070270387A1

  公开（公告）日：2007-11-22

  Disclosed herein is a compound having a structure or a pharmaceutically acceptable salt, or a prodrug thereof. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了一种具有结构或药用可接受盐或其前药的化合物。还披露了与之相关的治疗方法、组合物和药物。
• Novel Antiviral Compounds
  申请人：Chaltin Patrick

  公开号：US20130245049A1

  公开（公告）日：2013-09-19

  The present invention relates to compounds of formula (A), as further defined herein, having antiviral activity, more specifically HIV (Human Immunodeficiency Virus) replication inhibiting properties. The invention also relates to pharmaceutical compositions comprising an effective amount of such compounds as active ingredients. The invention further relates to the use of such compounds, optionally combined with one or more other drugs having antiviral activity, for the treatment of animals suffering from viral infections, in particular HIV infection.

  本发明涉及具有抗病毒活性的式（A）化合物，如本文中进一步定义的那样，更具体地具有抑制HIV（人类免疫缺陷病毒）复制的特性。本发明还涉及包含上述化合物作为活性成分的有效量的药物组合物。本发明还涉及使用这些化合物，可选地与一个或多个具有抗病毒活性的其他药物结合，用于治疗患有病毒感染的动物，特别是HIV感染。
• THERAPEUTIC SUBSTITUTED HYDANTOINS AND RELATED COMPOUNDS
  申请人：Old David W.

  公开号：US20080058397A1

  公开（公告）日：2008-03-06

  A compound having a structure is disclosed herein. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了一种具有结构的化合物。同时还披露了与其相关的治疗方法、组合物和药物。
• THERAPEUTIC COMPOUNDS
  申请人：Old David W.

  公开号：US20080015231A1

  公开（公告）日：2008-01-17

  A compound having a formula is disclosed herein. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了一种具有化学式的化合物。还披露了与之相关的治疗方法、组合物和药物。
• THERAPEUTIC AMIDES
  申请人：Old David W.

  公开号：US20080119539A1

  公开（公告）日：2008-05-22

  Compounds of the formula are disclosed herein. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了公式的化合物。还披露了与其相关的治疗方法、组成物和药物。