7,8-dimethoxy-2,2-dimethylchroman | 36772-93-7

• 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: 7,8-dimethoxy-2,2-dimethylchroman
• 英文别名: 7,8-Dimethoxy-2,2-dimethyl-3,4-dihydrochromene
• CAS: 36772-93-7
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: YCOPXLHXNGVKRT-UHFFFAOYSA-N

物化性质

• 沸点：
  298.7±40.0 °C(Predicted)
• 密度：
  1.040±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  7,8-dimethoxy-2,2-dimethylchroman 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 苯 为溶剂， 以80%的产率得到eupatoriochromene B
  参考文献：
  名称：

  Reaction of 2,2-Dimethylchromans with 2,3-Dichloro-5,6-dicyanobenzoguinone (DDQ)

  摘要：

  DOI：

  10.1055/s-1982-29707
• 作为产物：
  描述：

  邻苯三酚 在 磷酸 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 丙酮 为溶剂， 反应 12.0h， 生成 7,8-dimethoxy-2,2-dimethylchroman
  参考文献：
  名称：

  新型苯并二氢吡喃衍生物的合成及抗炎活性评价

  摘要：

  为了开发有效的抗炎剂，已经设计，合成并充分表征了一系列新的苯并二氢吡喃衍生物，包括无环酰胺基苯并二氢吡喃，苯并二氢吡喃酯和苯并二氢吡喃苯甲酸酯。通过抑制人内皮细胞上TNF-α诱导的ICAM-1表达，筛选了这些苯并吡喃类似物的抗炎活性。还建立了结构与活性的关系，并且发现对于羧基苯并二氢吡喃和酰胺基苯并二氢吡喃，酰胺部分的链长，侧链的支化以及苯环上取代基的存在对它们的抑制活性，而在丙烯酸苯丙酯中，甲氧基的数量，它们在苯环上的相对位置以及α中官能团的存在，β-不饱和酯部分对它们的活性起关键作用。复合发现14（N-己基-7-羟基-2,2-二甲基苯并吡喃-6-羧酰胺）是抑制内皮细胞上TNF-α诱导的ICAM-1表达的最有效化合物。

  DOI：

  10.1039/d0nj02125c

文献信息

• 2,2-Dimethylchromenes from Eupatorium aschembornianum
  作者：F. Gómez、L. Quijano、J.S. Calderón、A. Perales、T. Ríos

  DOI：10.1016/0031-9422(82)83051-3

  日期：1982.1

  Abstract Two new chromenes, eupatoriochromene B and C, and a new benzofuran derivative were isolated from the petrol-soluble fractions of the leaves and flowers of Eupatorium aschembornianum .

  摘要 从Eupatorium aschembornianum 叶和花的石油可溶组分中分离得到两种新的色烯，eupatoriochromene B 和C，以及一种新的苯并呋喃衍生物。
• Synthesis of o-isopentenylphenols from 2,2-dimethylchromans by cleavage with boron trichloride
  作者：Russell J. Molyneux

  DOI：10.1039/c39740000318

  日期：——

  Cleavage of 2,2-dimethylchromans with boron trichloride yields chloroisopentyl phenols which can be dehydrochlorinated to the isopentenylphenols.

  用三氯化硼裂解2，2-二甲基苯并吡喃产生氯异戊基酚，该氯异戊基酚可被脱氯化氢为异戊烯基酚。
• Multidimensional optimization of promising antitumor xanthone derivatives
  作者：Carlos M.G. Azevedo、Carlos M.M. Afonso、Diana Sousa、Raquel T. Lima、M. Helena Vasconcelos、Madalena Pedro、João Barbosa、Arlene G. Corrêa、Salette Reis、Madalena M.M. Pinto

  DOI：10.1016/j.bmc.2013.03.079

  日期：2013.6

  A promising antitumor xanthone derivative was optimized following a multidimensional approach that involved the synthesis of 17 analogues, the study of their lipophilicity and solubility, and the evaluation of their growth inhibitory activity on four human tumor cell lines. A new synthetic route for the hit xanthone derivative was also developed and applied for the synthesis of its analogues. Among the used cell lines, the HL-60 showed to be in general more sensitive to the compounds tested, with the most potent compound having a GI(50) of 5.1 mu M, lower than the hit compound. Lipophilicity was evaluated by the partition coefficient (K-p) of a solute between buffer and two membrane models, namely liposomes and micelles. The compounds showed a log K-p between 3 and 5 and the two membrane models showed a good correlation (r(2) = 0.916) between each other. Studies concerning relationship between solubility and structure were developed for the hit compound and 5 of its analogues. (C) 2013 Elsevier Ltd. All rights reserved.
• BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM
  申请人：ALKALOIDA VEGYéSZETI GYáR

  公开号：EP0271550A1

  公开（公告）日：1988-06-22
• Hair Growth Stimulants
  申请人：Nakaoji Kouichi

  公开号：US20070254946A1

  公开（公告）日：2007-11-01

  The present invention provides a hair growth stimulant comprising a chromene compound as an active ingredient, and which exhibits excellent hair restoration effects. The present invention also provides a hair-restoring preparation for external use, hair-restoring preparation for oral use, and hair-restoring food containing the hair growth stimulant.