(2S,4S,4aR,7R,8aR)-2-ethyl-4,7-dimethyl-octahydro-2H-chromen-4-ol | 1231954-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2S,4S,4aR,7R,8aR)-2-ethyl-4,7-dimethyl-octahydro-2H-chromen-4-ol
• 英文别名: (2S,4S,4aR,7R,8aR)-2-ethyl-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-ol
• CAS: 1231954-78-1
• 化学式: C₁₃H₂₄O₂
• 分子量: 212.332
• InChiKey: KOARZTSXAYGDKX-MLGHIDQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异胡薄荷醇 、 丙醛 在 scandium tris(trifluoromethanesulfonate) 作用下， 以 二氯甲烷 为溶剂， 生成 (2S,4R,4aR,7R,8aR)-2-ethyl-4,7-dimethyl-octahydro-2H-chromen-4-ol 、 (2S,4S,4aR,7R,8aR)-2-ethyl-4,7-dimethyl-octahydro-2H-chromen-4-ol
  参考文献：
  名称：

  Sc(OTf)3-catalyzed one-pot ene-Prins cyclization: a novel synthesis of octahydro-2H-chromen-4-ols

  摘要：

  (R)-Citronellal undergoes initial ene reaction followed by Prins cyclization with aldehydes in the presence of 5 mol % of scandium triflate at ambient temperature to furnish octahydro-2H-chromen-4-ols in good yields and with high cis-selectivity. The use of scandium triflate makes this procedure simple, more convenient, and practical. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.100

文献信息

• TETRAHYDROPYRANYL LOWER ALKYL ESTERS AND THE PRODUCTION OF SAME USING A KETENE COMPOUND
  申请人：BASF SE

  公开号：US20200325112A1

  公开（公告）日：2020-10-15

  The present invention relates to tetrahydropyranyl lower akyl esters and specifically to tetrahydropyranyl acetates, a method for preparation thereof using ketene and use thereof as fragrances and aroma substances.

  这项发明涉及四氢吡喃基低烷基酯，具体涉及四氢吡喃基乙酸酯，以及利用乙烯酮制备它们的方法和将其用作香料和香气物质的用途。
• Tetrahydropyranyl lower alkyl esters and the production of same using a ketene compound
  申请人：BASF SE

  公开号：US10981885B2

  公开（公告）日：2021-04-20

  The present invention relates to tetrahydropyranyl lower akyl esters and specifically to tetrahydropyranyl acetates, a method for preparation thereof using ketene and use thereof as fragrances and aroma substances.

  本发明涉及四氢吡喃低级烷基酯，特别是四氢吡喃乙酸酯，一种用烯酮制备它们的方法，以及它们作为香料和芳香物质的用途。
• Sc(OTf)3-catalyzed one-pot ene-Prins cyclization: a novel synthesis of octahydro-2H-chromen-4-ols
  作者：J.S. Yadav、B.V. Subba Reddy、A.V. Ganesh、G.G.K.S. Narayana Kumar

  DOI：10.1016/j.tetlet.2010.03.100

  日期：2010.6

  (R)-Citronellal undergoes initial ene reaction followed by Prins cyclization with aldehydes in the presence of 5 mol % of scandium triflate at ambient temperature to furnish octahydro-2H-chromen-4-ols in good yields and with high cis-selectivity. The use of scandium triflate makes this procedure simple, more convenient, and practical. (C) 2010 Elsevier Ltd. All rights reserved.