trimethyl-3,3,6 hexahydro-3,3a,4,5,6,7 benzioxazole-2,1 | 106550-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: trimethyl-3,3,6 hexahydro-3,3a,4,5,6,7 benzioxazole-2,1
• 英文别名: 3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole；3,3,6-trimethyl-4,5,6,7-tetrahydro-3aH-benzo[c]isoxazole；3,3,6-trimethyl-4,5,6,7-tetrahydro-3aH-2,1-benzoxazole
• CAS: 106550-03-2
• 化学式: C₁₀H₁₇NO
• 分子量: 167.251
• InChiKey: SYCOJAUTMKNPBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  香茅醛肟 在 chloroamine-T 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以82%的产率得到trimethyl-3,3,6 hexahydro-3,3a,4,5,6,7 benzioxazole-2,1
  参考文献：
  名称：

  A New Method for the Generation of Nitrile Oxides and Its Application to the Synthesis of 2-Isoxazolines

  摘要：

  醛肟与氯胺-T 反应会生成腈氧化物，腈氧化物可在分子内或分子间与烯烃化合物发生原位反应，从而以良好的收率生成异噁唑啉。

  DOI：

  10.1055/s-1989-27152

文献信息

• Development and Application of a Continuous Microwave Reactor for Organic Synthesis
  作者：Teresa Cablewski、Alan F. Faux、Christopher R. Strauss

  DOI：10.1021/jo00091a033

  日期：1994.6

  A laboratory-scale continuous microwave reactor (CMR) has been developed and used to conduct organic syntheses routinely, rapidly, and safely in a range of solvents, under pressures up to 1400 kPa and at temperatures up to 200 degrees C. Advantages and applications of the CMR are discussed, along with the rationale for the design. Reactions carried out with the CMR included nucleophilic substitution, addition, esterification, transesterification, acetalization, amidation, base- and acid-catalyzed hydrolysis, isomerization, decarboxylation, and elimination. Name reactions included the Michael addition, Hofmann degradation, Williamson ether synthesis, and the Mannich, Finkelstein, Baylis-Hillman, and Knoevenagel reactions.
• HASSNER, ALFRED;LOKANATHA, RAI K. M., SYNTHESIS,(1989) N, C. 57-59
  作者：HASSNER, ALFRED、LOKANATHA, RAI K. M.

  DOI：——

  日期：——
• Cablewski Teresa, Faux Alan F., Strauss Christopher R., J. Org. Chem, 59 (1994) N 12, S 3408-3412
  作者：Cablewski Teresa, Faux Alan F., Strauss Christopher R.

  DOI：——

  日期：——
• Berrada, M.; Rombourg, M.; Hakiki, A., Bulletin de la Societe Chimique de France, 1985, # 5, p. 937 - 946
  作者：Berrada, M.、Rombourg, M.、Hakiki, A.、Vidal, J. Y.

  DOI：——

  日期：——
• A New Method for the Generation of Nitrile Oxides and Its Application to the Synthesis of 2-Isoxazolines
  作者：Alfred Hassner、K. M. Lokanatha Rai

  DOI：10.1055/s-1989-27152

  日期：——

  Reaction of aldoximes with choramine-T leads to formation of nitrile oxides which can react in situ intra- or intermolecularly with olefinic compounds to produce isoxazolines in good yield.

  醛肟与氯胺-T 反应会生成腈氧化物，腈氧化物可在分子内或分子间与烯烃化合物发生原位反应，从而以良好的收率生成异噁唑啉。