6,8,3',4'A,5',7'-hexamethyl-9',9'a-dihydro-4'aH-spiro[chroman-2,1'-xanthen]-2'-one | 123974-34-5

• 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: 6,8,3',4'A,5',7'-hexamethyl-9',9'a-dihydro-4'aH-spiro[chroman-2,1'-xanthen]-2'-one
• 英文别名: 6,8,3',4'A,5',7'-hexamethyl-9',9'a-dihydro-4'aH-spiro[chroman-2,1'-xanthen]-2'-on；3',4'a,5',6,7',8-Hexamethylspiro[3,4-dihydrochromene-2,1'-9,9a-dihydroxanthene]-2'-one；3',4'a,5',6,7',8-hexamethylspiro[3,4-dihydrochromene-2,1'-9,9a-dihydroxanthene]-2'-one
• CAS: 123974-34-5
• 化学式: C₂₇H₃₀O₃
• 分子量: 402.533
• InChiKey: DJHPZABXSXJCQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6,8,3',4'A,5',7'-hexamethyl-9',9'a-dihydro-4'aH-spiro[chroman-2,1'-xanthen]-2'-one 反应 4.0h， 生成 bis(2-hydroxy-3,5-dimethylphenyl)ethane
  参考文献：
  名称：

  4,6-Dimethyl-o-quinone Methide and 4,6-Dimethylbenzoxete

  摘要：

  4,6-Dimethyl-o-quinone methide (4) was produced by FVP of alcohol 3 or of the trimer 6 and matrix isolated in Ar at 7.6 K. Photolysis of 4 with long wavelength light (>345 nm) at this temperature afforded 4,6-dimethylbenzoxete (5), which was observable up to room temperature in the solid state in the absence of water. 5 can be converted back to 4 by UV irradiation at 254/190 nm. Quantum chemical calculations on the thermal interconversion of 4 and 5 indicate activation barriers of the order of 40 kcal/mol for 4 --> 5, and 30 kcal/mol for 5 --> 4. The dimer, trimer, and tetramer (8, 6, and 7) of 4 are characterized.

  DOI：

  10.1021/jo981445x
• 作为产物：
  描述：

  2-chloromethyl-4,6-dimethyl-phenol 在 etheric solution 、 sodium carbonate 作用下， 生成 6,8,3',4'A,5',7'-hexamethyl-9',9'a-dihydro-4'aH-spiro[chroman-2,1'-xanthen]-2'-one
  参考文献：
  名称：

  Civelekoglu, Istanbul Universitesi Fen Fakultesi Mecmuasi, 1953, vol. 18, p. 14,27

  摘要：

  DOI：

文献信息

• Pulsed 2-Dimensional Raman Spectroscopy on Microdroplets
  作者：H. Moritz、G. Schweiger

  DOI：10.1002/(sici)1521-4125(200004)23:4<361::aid-ceat361>3.0.co;2-g

  日期：2000.4

  Raman spectroscopy to determine the average concentration in the liquid phase and concentration distribution in the gas phase surrounding desorbing linear arrays of binary microdroplets. For this study, monodisperse microdroplets consisting of acetylene dissolved in acetone were generated by a modified vibrating orifice aerosol generator (VOAG). The 2-dimensional concentration fields of acetylene desorbed

  在这项研究中，我们使用基于脉冲拉曼光谱的技术来确定液相中的平均浓度和气相中围绕解吸线性二元微滴阵列的浓度分布。在这项研究中，由溶解在丙酮中的乙炔组成的单分散微滴是通过改进的振动孔气溶胶发生器 (VOAG) 产生的。从液滴中解吸的乙炔二维浓度场的空间分辨率约为 40 μm，沿液滴链方向和垂直于液滴链的方向。气相和液相浓度的检测限分别约为 100 ppm 和 1 mmol/l。
• Hultzsch, Chemische Berichte, 1941, vol. 74, p. 898,903
  作者：Hultzsch

  DOI：——

  日期：——
• v. Euler; Adler; Cedwall, Arkiv foer Kemi, 1941, vol. 14 A, # 14, p. 15
  作者：v. Euler、Adler、Cedwall

  DOI：——

  日期：——
• 4,6-Dimethyl-<i>o</i>-quinone Methide and 4,6-Dimethylbenzoxete
  作者：Greg GuangHua Qiao、Keith Lenghaus、David H. Solomon、Ales Reisinger、Ian Bytheway、Curt Wentrup

  DOI：10.1021/jo981445x

  日期：1998.12.1

  4,6-Dimethyl-o-quinone methide (4) was produced by FVP of alcohol 3 or of the trimer 6 and matrix isolated in Ar at 7.6 K. Photolysis of 4 with long wavelength light (>345 nm) at this temperature afforded 4,6-dimethylbenzoxete (5), which was observable up to room temperature in the solid state in the absence of water. 5 can be converted back to 4 by UV irradiation at 254/190 nm. Quantum chemical calculations on the thermal interconversion of 4 and 5 indicate activation barriers of the order of 40 kcal/mol for 4 --> 5, and 30 kcal/mol for 5 --> 4. The dimer, trimer, and tetramer (8, 6, and 7) of 4 are characterized.
• Civelekoglu, Istanbul Universitesi Fen Fakultesi Mecmuasi, 1953, vol. <A> 18, p. 14,27
  作者：Civelekoglu

  DOI：——

  日期：——