3,4,6,7-tetrahydro-3,3,6,6-tetramethyl-9-o-tolyl-2H-xanthene-1,8(5H,9H)-dione | 71827-93-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4,6,7-tetrahydro-3,3,6,6-tetramethyl-9-o-tolyl-2H-xanthene-1,8(5H,9H)-dione
• 英文别名: 3,3,6,6-tetramethyl-9-o-tolyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione；3,3,6,6-Tetramethyl-9-o-tolyl-3,4,5,6,7,9-hexahydro-2H-xanthen-1,8-dion；3,3,6,6-tetramethyl-9-(2-methylphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
• CAS: 71827-93-5
• 化学式: C₂₄H₂₈O₃
• mdl: MFCD01030325
• 分子量: 364.485
• InChiKey: JWHKQURUTSGFHG-UHFFFAOYSA-N

物化性质

• 沸点：
  516.9±50.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4,6,7-tetrahydro-3,3,6,6-tetramethyl-9-o-tolyl-2H-xanthene-1,8(5H,9H)-dione 在 氯磺酸 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 N-Isopropyl-4-methyl-3-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-benzenesulfonamide
  参考文献：
  名称：

  Cremlyn, Richard J.; Saunders, David, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 81, # 1-4, p. 73 - 82

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5,5',5'-tetramethyl-2,2'-(2-methyl-benzylidene)-bis-cyclohexane-1,3-dione 在 盐酸 作用下， 生成 3,4,6,7-tetrahydro-3,3,6,6-tetramethyl-9-o-tolyl-2H-xanthene-1,8(5H,9H)-dione
  参考文献：
  名称：

  醛的甲酮衍生物。

  摘要：

  DOI：

  10.1021/jo01171a014

文献信息

• A novel polymeric catalyst for the one-pot synthesis of xanthene derivatives under solvent-free conditions
  作者：Behrooz Maleki、Shahram Barzegar、Zeinalabedin Sepehr、Mina Kermanian、Reza Tayebee

  DOI：10.1007/s13738-012-0092-5

  日期：2012.10

  simple, efficient, and environmentally benign route was developed for the preparation of 14-aryl or alkyl-14H-dibenzo[a,j]xanthene, 1,8-dioxo-octahydroxanthene and 12-aryl—8,9,10,12-tetrahydrobenzo[a]xanthene-11-ones from condensation of various aldehydes with (i) β-naphthol, (ii) cyclic 1,3-dicarbonyl compounds and (iii) β-naphthol and cyclic 1,3-dicarbonyl compounds, using novel polymeric catalyst [poly(AMPS-co-AA)]

  开发了一种简单，有效且环境友好的方法，用于制备14-芳基或烷基14 H-二苯并[a，j]氧杂蒽，1,8-二氧代-八氢氧杂蒽和12-芳基-8,9,10，各种醛与（i）β-萘酚，（ii）环状1,3-二羰基化合物和（iii）β-萘酚和环状1,3-二羰基化合物缩合而成的12-四氢苯并[a]黄嘌呤-11-酮，在无溶剂条件下使用新型聚合物催化剂[聚（AMPS-co-AA）]。使用容易获得的催化剂，更短的反应时间，更好的产率，反应的简单性，非均相系统和容易的后处理是本方法的优点。
• Nano-zirconia as an excellent nano support for immobilization of sulfonic acid: a new, efficient and highly recyclable heterogeneous solid acid nanocatalyst for multicomponent reactions
  作者：Ali Amoozadeh、Salman Rahmani、Mehrnoosh Bitaraf、Fatemeh Bolghan Abadi、Elham Tabrizian

  DOI：10.1039/c5nj02430g

  日期：——

  Nano-zirconia-supported sulfonic acid as a novel, highly efficient and recyclable heterogeneous nanocatalyst is reported for the synthesis of multicomponent reactions.

  报告了一种新型的、高效的、可回收的纳米催化剂——纳米氧化锆支撑的磺酸，用于合成多组分反应。

• Nano-WO 3 -supported sulfonic acid: New, efficient and high reusable heterogeneous nano catalyst
  作者：Ali Amoozadeh、Salman Rahmani

  DOI：10.1016/j.molcata.2014.09.020

  日期：2015.1

  Nano-WO3-supported sulfonic acid [n-WO3-SO3H (n-WSA)] is easily prepared from the reaction of nano WO3 with chlorosulfonic acid as sulfonating agent. This new catalyst is characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), FT-IR spectroscopy, thermal gravimetric analysis (TGA), pH analysis and Hammett acidity function. Nano-WO3-supported sulfonic acid is used as an efficient and recyclable catalyst for some organic reactions such as synthesis of 1,8-dioxo-octahydroxanthene, tetrahydrobenzoxanthene and benzimidazolo quinazolinone derivatives. All of the reactions are very fast and the yields are excellent. The used catalyst was easily separated and reused for 10 runs without appreciable loss of its catalytic activity. (C) 2014 Elsevier B.V. All rights reserved.
• Magnesium Hydrogensulfate [Mg(HSO₄)₂] as an Efficient Catalyst for the Preparation of Silyl Ethers, Dibenzo[a,j]xanthenes, and Octahydroxanthene Derivatives
  作者：Hamid Reza Shaterian、Razieh Doostmohammadi、Fahimeh Khorami、Majid Ghashang

  DOI：10.1080/10426500902758329

  日期：2009.12.29

  Magnesium hydrogensulfate [Mg(HSO4)(2)], as a heterogeneous solid acid catalyst, has been used for the mild formation of trimethylsilyl (TMS) ethers from various primary, secondary, and tertiary aliphatic alcohols; aromatic alcohols; and oximes using hexamethyldisilazane (HMDS) under ambient conditions. In addition, 14-aryl-14H-dibenzo[a,j]xanthenes and 1,8-dioxo- octahydroxanthene derivatives were synthesized in the presence of Mg(HSO4)(2) with short reaction times in high to excellent yield under solvent-free conditions.
• NMR spectral studies of dimedone-aldehyde adducts Part 2. 1H and 13C NMR studies of the adducts
  作者：Richard J. Cremlyn、Alan G. Osborne、Joanne F. Warmsley

  DOI：10.1016/0584-8539(96)01696-0

  日期：1996.10

  A detailed study of the 270 MHz H-1 and 67 MHz C-13 NMR spectra of four series of dimedone adducts and ''anhydrides'' is presented. A valuable (5)J(HH) homoallylic coupling has been identified which has facilitated signal locations utilising 2D HETCOR and COLOC experiments. Some earlier spectral assignments are revised.