(2,2,6-trimethyl-4H-benzo[1,3]dioxin-8-yl)-methanol | 140875-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: (2,2,6-trimethyl-4H-benzo[1,3]dioxin-8-yl)-methanol
• 英文别名: 2,2,6-trimethyl-8-(hydroxymethyl)benzo-1,3-dioxin；2,2-dimethyl-8-(hydroxymethyl)benzo-1,3-dioxin；4H-1,3-Benzodioxin-8-methanol, 2,2,6-trimethyl-；(2,2,6-trimethyl-4H-1,3-benzodioxin-8-yl)methanol
• CAS: 140875-58-7
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: LTESAUAQOMBICV-UHFFFAOYSA-N

物化性质

• 沸点：
  344.9±42.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2,2,6-trimethyl-4H-benzo[1,3]dioxin-8-yl)-methanol 在 盐酸 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 3-(氯甲基)-2-羟基-5-甲基苯甲醛
  参考文献：
  名称：

  A Convergent Synthesis of Hexahomotriazacalix[3]arene Macrocycles

  摘要：

  A new, convergent synthesis of hexahomotriazacalix[3] arenes la-e is described. The key transformation in this synthesis involves the coupling of the triamines 4a-d with 2,6-bis(chloromethyl)-4-methylphenol 5 and results in the formation of the hexahomotriazacalix[3] arenes 1a-d in 90-95% yield. The triamines 4a-d were constructed by the one-pot reaction of monochloroaldehyde 3 and a primary amine followed by reduction to yield the triamines 4a-d in 50-55% yield. Deallylation of macrocycle Id was accomplished by palladium catalysis to obtain the N-unsubstituted macrocycle le, which has the potential to be a precursor to a variety of N-substituted hexahomotriazacalix[3] arenes.

  DOI：

  10.1021/jo001094y
• 作为产物：
  描述：

  对甲酚 在 sodium hydroxide 、 甲烷磺酸 作用下， 以 四氢呋喃 为溶剂， 生成 (2,2,6-trimethyl-4H-benzo[1,3]dioxin-8-yl)-methanol
  参考文献：
  名称：

  双室多功能基团配体的制备

  摘要：

  一种制备酚基配体 1,6-双(2-噻吩)-2,5-双(2-羟基-3-羟甲基-5-甲基苄基)-2,5-二氮杂己烷和1,据报道，6-双(5-甲基-2-噻吩)-2,5-双(2-羟基-3-羟甲基-5-甲基-苄基)-2,5-二氮杂己烷具有两个不同的具有多功能基团的隔室。为了合成这些配体，当量的 1,6-双（2-噻吩）-2,5-二氮杂己烷或 1,6-双（5-甲基-2-噻吩）-2,5-二氮杂己烷和两当量的 2 ,2-二甲基-6-甲基-8-(氯甲基)苯并-1,3-二恶英在 Na2CO3 存在下在 1,4-二恶烷中反应，然后酸水解丙酮化物保护基团。报告了新化合物的表征数据。

  DOI：

  10.1080/10426500600864890

文献信息

• CATALYSTS AND METHODS FOR POLYMER SYNTHESIS
  申请人：NOVOMER, INC.

  公开号：US20130144032A1

  公开（公告）日：2013-06-06

  The present invention provides unimolecular metal complexes having increased activity in the copolymerization of carbon dioxide and epoxides. Also provided are methods of using such metal complexes in the synthesis of polymers. According to one aspect, the present invention provides metal complexes comprising an activating species with co-catalytic activity tethered to a multidentate ligand that is coordinated to the active metal center of the complex.

  本发明提供了在二氧化碳和环氧化物的共聚合中具有增强活性的单分子金属配合物。还提供了使用这种金属配合物在合成聚合物中的方法。根据一个方面，本发明提供了包括与具有共催化活性的活化物种相耦合的多齿配体的金属配合物，该多齿配体与复合物的活性金属中心配位。
• Practical Os/Cu-Cocatalyzed Air Oxidation of Allyl and Benzyl Alcohols at Room Temperature and Atmospheric Pressure
  作者：John Muldoon、Seth N. Brown

  DOI：10.1021/ol025648q

  日期：2002.3.1

  [reaction: see text] A new protocol for the oxidation of primary and secondary allyl and benzyl alcohols at room temperature and using 1 atm of air is described. The procedure uses low loadings of copper salts and osmium tetroxide, which is activated with quinuclidine and prereduced with an alkene. Chemoselectivity for allyl and benzyl alcohols is very high, no overoxidation is observed, and the reaction

  [反应：见正文]描述了一种在室温下使用1个大气压的空气氧化伯，仲烯丙基和苄醇的新方案。该程序使用低含量的铜盐和四氧化，它们被奎尼丁活化并被烯烃预还原。烯丙基和苄醇的化学选择性非常高，未观察到过氧化，反应在中性条件下进行。
• Synthesis and photoreactions of 3-oxa-tricyclo[5.2.2.01,5]undecenones: a novel, stereoselective route to oxa-triquinanes and oxa-sterpuranes
  作者：Vishwakarma Singh、S.Q Alam、G.D Praveena

  DOI：10.1016/s0040-4020(02)01280-2

  日期：2002.11

  The synthesis of 11-methyl-3-oxa-tricyclo[5.2.2.01,5]undecenones and their photochemical reactions upon triplet (3T) and singlet (1S) excitation is described. Oxidation of hydroxymethylphenol gave a ketoepoxide by intramolecular cycloaddition. Manipulation of the oxirane ring furnished the chromophoric systems. Triplet excitation of these gave tetracyclic compounds containing an oxatriquinane framework

  描述了11-甲基-3-氧杂-三环[5.2.2.0 1,5 ]十一碳烯的合成及其在三重态（3 T）和单重态（1 S）激发下的光化学反应。羟甲基苯酚的氧化通过分子内环加成反应得到酮环氧化物。环氧乙烷环的操纵提供了发色体系。通过三重激发，得到了含有氧杂三喹烷骨架的四环化合物。单线态激发以立体选择性方式提供了具有氧杂嘌呤环系统的三环化合物。
• The '2+1' Construction of Homooxacalix[3]arenes Possessing Different Substituents on Their Upper Rims.
  作者：Kazunori TSUBAKI、Koichiro MUKOYOSHI、Tadamune OTSUBO、Kaoru FUJI

  DOI：10.1248/cpb.48.882

  日期：——

  Several homoxacalix[3]arenes possessing different substituents on their upper rims were synthesized in yields of 7-20% by a condensation reaction between the p-substituted phenol dimer and monomer under acidic high-dilution conditions.

  在酸性高稀释条件下，通过对取代苯酚二聚体和单体之间的缩合反应，合成了几种上缘具有不同取代基的均二十碳六[3]烷，收率为 7-20%。
• Novel entry into oxepane–diquinane and oxepane–sterpurane hybrids: synthesis and photochemistry of 3-oxatricyclo[7.2.2.01,7]tridecenones
  作者：Vishwakarma Singh、Punitha Vedantham、Vinayak V Kane、Kurt Polborn

  DOI：10.1016/s0040-4039(02)02611-4

  日期：2003.1

  A new synthesis of 3-oxatricyclo[7.2.2.01,7]tridecenones via intramolecular π4s+π2s cycloaddition in cyclohexa-2,4-dienones is described. Their photochemical reactions leading to oxepane–diquinane and oxepane–sterpurane hybrids are depicted. The crystal structure of a key intermediate is also presented.

  3-氧杂三环的新合成[7.2.2.0 1,7 ] tridecenones经由分子内π 4S +π 2S环加成在环己-2,4-二烯酮进行说明。描绘了它们的光化学反应，导致氧杂环丁烷-二喹烷和氧杂环丁烷-甾烷杂化物。还显示了关键中间体的晶体结构。