1-β-Hydroxyethyl-4-acetyl-5-methylpyrazol | 5078-59-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-β-Hydroxyethyl-4-acetyl-5-methylpyrazol
• 英文别名: 4-Acetyl-2-(2-hydroxyethyl)-5-methyl-pyrazol；1-[1-(2-hydroxy-ethyl)-5-methyl-1H-pyrazol-4-yl]-ethanone；1-(1-(2-Hydroxyethyl)-5-methyl-1H-pyrazol-4-yl)ethanone；1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]ethanone
• CAS: 5078-59-1
• 化学式: C₈H₁₂N₂O₂
• 分子量: 168.195
• InChiKey: CWUQLNBIBGEMBN-UHFFFAOYSA-N

物化性质

• 沸点：
  319.0±32.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-acetyl-1-ethoxycarbonyl-3-methylpyrazole 在 氢氧化钾 、 sodium methylate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 26.0h， 生成 1-β-Hydroxyethyl-4-acetyl-5-methylpyrazol
  参考文献：
  名称：

  Nagarajan, Kuppuswamy; Arya, Vishwa Prakash; Shenoy, Sharada J., Journal of Chemical Research, Miniprint, 1986, # 5, p. 1401 - 1443

  摘要：

  DOI：

文献信息

• NAGARAJAN KUPPUSWAMY; ARYA VISHWA PRAKASH; SHENOY SHARADA J., J. CHEM. RES. SYNOP.,(1986) 166-167
  作者：NAGARAJAN KUPPUSWAMY、 ARYA VISHWA PRAKASH、 SHENOY SHARADA J.

  DOI：——

  日期：——
• NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY
  申请人：Masuda Koji

  公开号：US20100240659A1

  公开（公告）日：2010-09-23

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: , its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is a group represented by the formula: Ring B is optionally substituted heteroaryl, provided that optionally substituted isoxazole is excluded, or optionally substituted heterocycle, R 1 is hydrogen or optionally substituted alkyl, R 2 is —OR 5 , —SR 5 , halogen, halogenated alkyl or the like, R 3 is optionally substituted alkyl or the like, R 4 is optionally substituted alkyl or the like, R 5 is optionally substituted alkyl or the like, R 6 is hydrogen or the like, R 7 and R 8 are each independently hydrogen or the like, R 10 and R 11 are each independently hydrogen or the like, R 12 is optionally substituted alkyl or the like, m and p are each independently integer of 1 to 3.
• US8383622B2
  申请人：——

  公开号：US8383622B2

  公开（公告）日：2013-02-26
• Nagarajan, Kuppuswamy; Arya, Vishwa Prakash; Shenoy, Sharada J., Journal of Chemical Research, Miniprint, 1986, # 5, p. 1401 - 1443
  作者：Nagarajan, Kuppuswamy、Arya, Vishwa Prakash、Shenoy, Sharada J.

  DOI：——

  日期：——