(1S,2S)-2-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)cyclohexanol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2S)-2-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)cyclohexanol
• 英文别名: (1S,2S)-2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]cyclohexan-1-ol
• 化学式: C₁₆H₂₄N₂O
• 分子量: 260.379
• InChiKey: BDEHDHIMCPNFRC-REJLFOLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole 在 吡啶 、 氢氧化钾 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 49.0h， 生成 (1S,2S)-2-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)cyclohexanol
  参考文献：
  名称：

  Novel optically active pyrazole ligands derived from (+)-3-carene

  摘要：

  Reactions of chiral beta -diketone with racemic hydrazines as well as reaction of chiral pyrazole with cyclohexene epoxide and trans-stilbene epoxide have been examined as the routes to optically active pyrazolylethanols. Diastereomerically pure products have been isolated by crystallization or column chromatography in good yields. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00477-3

文献信息

• Novel optically active pyrazole ligands derived from (+)-3-carene
  作者：Sergey A. Popov、Yuri V. Gatilov、Tatjana V. Rybalova、Oxana A. Kholdeeva、Alexey V. Tkachev

  DOI：10.1016/s0957-4166(01)00477-3

  日期：2001.11

  Reactions of chiral beta -diketone with racemic hydrazines as well as reaction of chiral pyrazole with cyclohexene epoxide and trans-stilbene epoxide have been examined as the routes to optically active pyrazolylethanols. Diastereomerically pure products have been isolated by crystallization or column chromatography in good yields. (C) 2001 Elsevier Science Ltd. All rights reserved.