2,2-dimethyl-7-pentyl-5-chromenol | 56157-26-7

• 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: 2,2-dimethyl-7-pentyl-5-chromenol
• 英文别名: 2,2-dimethyl-7-pentyl-2H-chromen-5-ol；2H-1-Benzopyran-5-ol, 2,2-dimethyl-7-pentyl-；2,2-dimethyl-7-pentylchromen-5-ol
• CAS: 56157-26-7
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: XLSYFQOJMWXOCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  3-甲基-2-丁烯醛 、 3,5-二羟基戊苯 在 ethylenediamine Tetraacetic Acid 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以48%的产率得到2,2-dimethyl-7-pentyl-5-chromenol
  参考文献：
  名称：

  通过乙二胺二乙酸酯催化间苯二酚与α，β-不饱和醛反应合成苯并吡喃的有效且通用的方法。一步合成具有生物活性的（±）-confluentin和（±）-daurichromenic酸

  摘要：

  通过乙二胺二乙酸酯催化间苯二酚与α，β-不饱和醛的适度收率，可实现苯并吡喃的有效和一般合成。作为该方法的一种应用，一步合成了生物学上有意义的融合蛋白，已知该蛋白对组胺的释放具有抑制作用。此外，一步法成功地合成了具有强大的抗HIV活性的天然金鸡铬酸。

  DOI：

  10.1016/j.tetlet.2005.08.159

文献信息

• CHROMENIC PHYTOCANNABINOIDS, THEIR SYNTHESIS AND USE IN TREATMENT OR PREVENTION OF DISEASE
  申请人：Emerald Health Biotechnology España,S.L.U.

  公开号：EP3666765A1

  公开（公告）日：2020-06-17

  The present invention relates to a compound of the formula (I) or a solvate or co-crystal thereof wherein: - R is selected from the group consisting of: a C1-C6 alkyl, a C2-C8 alkenyl moiety, a C4-C12 dienyl or a C6-C18 trienyl moiety; - R1 is a C1-C6 alkyl moiety; - R2 is selected from the group consisting of: H and a C1-C6 alkyl moiety; - R3 is selected from the group consisting of: H and a C1-C6 alkyl moiety; - R4 is selected from the group consisting of: H, a C1-C6 alkyl moiety and a benzyl moiety. The present invention also relates to a process for producing said compound of the formula (I), or a solvate or co-crystal thereof, as well as a pharmaceutical composition comprising said compound of the formula (I), or a solvate or co-crystal thereof and at least one excipient. The present invention also relates to a compound of the formula (I), or a solvate or co-crystal thereof, for use in the treatment or prevention of a disease or condition.

  本发明涉及以下公式(I)的化合物或其溶剂或共晶体，其中：- R选自以下组：C1-C6烷基，C2-C8烯基基团，C4-C12二烯基或C6-C18三烯基；- R1是C1-C6烷基基团；- R2选自以下组：H和C1-C6烷基基团；- R3选自以下组：H和C1-C6烷基基团；- R4选自以下组：H，C1-C6烷基基团和苄基。本发明还涉及制备所述公式(I)的化合物或其溶剂或共晶体的方法，以及包括所述公式(I)的化合物或其溶剂或共晶体和至少一种赋形剂的药物组合物。本发明还涉及用于治疗或预防疾病或状况的公式(I)的化合物或其溶剂或共晶体。
• SARTORI G.; CASIRAGHI G.; BOLZONI L.; CASNATI G., J. ORG. CHEM., 1979, 44, NO 5, 803-805
  作者：SARTORI G.、 CASIRAGHI G.、 BOLZONI L.、 CASNATI G.

  DOI：——

  日期：——
• [EN] CHROMENIC PHYTOCANNABINOIDS, THEIR SYNTHESIS AND USE IN TREATMENT OR PREVENTION OF DISEASE<br/>[FR] PHYTOCANNABINOÏDES CHROMÉNIQUES, LEUR SYNTHÈSE ET LEUR UTILISATION DANS LE TRAITEMENT OU LA PRÉVENTION D'UNE MALADIE
  申请人：EMERALD HEALTH BIOTECHNOLOGY ESPANA S L U

  公开号：WO2020120582A1

  公开（公告）日：2020-06-18

  The present invention relates to a compound of the formula (I) or a solvate or co-crystal thereof (I) wherein: - R is selected from the group consisting of: a C1-C6 alkyl, a C2-C8 alkenyl moiety, a C4-C12 dienyl or a C6-C18 trienyl moiety; - R1 is a C1-C6 alkyl moiety; - R2 is selected from the group consisting of: H and a C1-C6 alkyl moiety; - R3 is selected from the group consisting of: H and a C1-C6 alkyl moiety; - R4 is selected from the group consisting of: H, a C1-C6 alkyl moiety and a benzyl moiety. The present invention also relates to a process for producing said compound of the formula (I), or a solvate or co-crystal thereof, as well as a pharmaceutical composition comprising said compound of the formula (I), or a solvate or co-crystal thereof and at least one excipient. The present invention also relates to a compound of the formula (I), or a solvate or co-crystal thereof, for use in the treatment or prevention of a disease or condition.