2,2,5-trimethylchroman-4-one | 143260-31-5

• 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: 2,2,5-trimethylchroman-4-one
• 英文别名: 2,2,5-Trimethyl-chroman-4-on；2,2,5-trimethyl-3H-chromen-4-one
• CAS: 143260-31-5
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: AHHOESIJNMHUCH-UHFFFAOYSA-N

物化性质

• 熔点：
  96.5 °C
• 沸点：
  304.3±42.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,5-trimethylchroman-4-one 、 2,3-二氨基-5-溴吡啶 生成 bromo-10 trimethyl-2,6,6 6H-benzopyranno<1><4,3-e>pyrido<2,3-b>pyrazine
  参考文献：
  名称：

  VINOT, NICOLE;MAITTE, PIERRE, J. HETEROCYCL. CHEM., 26,(1989) N, C. 1013-1021

  摘要：

  DOI：
• 作为产物：
  描述：

  (2,2,5-trimethyl-4-oxo-3H-chromen-7-yl) N,N-diethylcarbamimidate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以86%的产率得到2,2,5-trimethylchroman-4-one
  参考文献：
  名称：

  Modification of Hydroxybenzopyranoids: Facile Deoxygenation of 2,2-Dimethyl-7-hydroxy-4-chromanones and a New Approach to Their Novel Mercapto Analogs

  摘要：

  A facile deoxygenation of a systematic series of substituted 2,2-dimethyl-7-hydroxy-4-chromanones via their sulfonate, isourea, and thiocarbamate derivatives is reported. The synthesis of novel 2,2-dimethyl-7-mercapto-4-chromanones has been accomplished by the hydrolysis of the corresponding thiocarbamates. The scope and limitations of different deoxygenation procedures in the case of these hydroxybenzopyranoids are also presented.

  DOI：

  10.1021/jo00100a038

文献信息

• Facile Deoxygenation of Hydroxylated Flavonoids by Palladium-Catalysed Reduction of its Triflate Derivatives
  作者：József Kövér、Sándor Antus

  DOI：10.1515/znb-2005-0716

  日期：2005.7.1

  An efficient procedure to deoxygenate hydroxy substituted flavonoids, isoflavonoids and related compounds via their trifluoromethanesulfonates is presented. Their reduction with formic acid in the presence of a catalytic amount of palladium acetate, triethylamine and 1,3-bis(diphenylphosphanyl) propane (dppp) in DMF results in their des-hydroxy derivatives without affecting other functional groups.

  通过使用三氟甲磺酸盐，以催化量的乙酸钯、三乙胺和1,3-双(二苯基膦基)丙烷（dppp）在DMF中，将含羟基的黄酮类化合物、异黄酮类化合物及相关化合物脱氧的高效程序被提出。在甲酸存在下，它们的还原会导致它们的去羟基衍生物，而不影响其他功能团。
• Expeditious photochemical reaction toward the preparation of substituted chroman-4-ones
  作者：Daniela Iguchi、Rosa Erra-Balsells、Sergio M. Bonesi

  DOI：10.1016/j.tetlet.2014.06.081

  日期：2014.8

  photochemical preparation of 5-, 6-, and 7-substituted chroman-4-ones from aryl 3-methyl-2-butenoate esters is described. The two-phase base-catalyzed method relies upon two consecutive processes in one-pot reaction through a photo-Fries rearrangement and a based-catalyzed intramolecular oxa-Michael addition to afford the desired products.

  描述了由3-甲基-2-丁烯酸酯芳基酯容易地光化学制备5-，6-和7-取代的吡喃-4-酮的方法。两相碱催化方法依靠一锅反应中的两个连续过程，通过光-弗里斯重排和碱催化的分子内氧杂-迈克尔加成反应得到所需的产物。
• Macrolide Antibiotics
  申请人：ALIHODZIC Sulejman

  公开号：US20060211636A1

  公开（公告）日：2006-09-21

  The present invention relates to 11,12 γ lactone ketolides of formula (I) wherein R, R 1 , R 2 , R 3 are as defined herein and pharmaceutically acceptable salts and solvates thereof, to process for their preparation and their use in therapy or prophylaxis of systemic or topical bacterial infections in a human or animal body.

  本发明涉及式(I)的11,12-γ内酯酮类化合物，其中R、R1、R2、R3如定义所述，以及其药学上可接受的盐和溶剂化物，以及其制备方法和在人或动物体内治疗或预防系统性或局部细菌感染的用途。
• Colonge; Chambard, Bulletin de la Societe Chimique de France, 1953, p. 573,577, 582
  作者：Colonge、Chambard

  DOI：——

  日期：——
• VINOT, NICOLE;MAITTE, PIERRE, J. HETEROCYCL. CHEM., 26,(1989) N, C. 1013-1021
  作者：VINOT, NICOLE、MAITTE, PIERRE

  DOI：——

  日期：——