1,3-Dimethyl-2,3-dihydro-2-spiro-(4-2,6-di-tert-butyl-2,5-cyclohexadienone)perimidine | 120570-55-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,3-Dimethyl-2,3-dihydro-2-spiro-(4-2,6-di-tert-butyl-2,5-cyclohexadienone)perimidine
• 英文别名: 2,6-Ditert-butyl-1',3'-dimethylspiro[cyclohexa-2,5-diene-4,2'-perimidine]-1-one
• CAS: 120570-55-0
• 化学式: C₂₆H₃₂N₂O
• 分子量: 388.553
• InChiKey: GRUNKKXQHCQCRR-UHFFFAOYSA-N

物化性质

• 熔点：
  163-164 °C
• 沸点：
  549.3±50.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-Dimethyl-2,3-dihydro-2-spiro-(4-2,6-di-tert-butyl-2,5-cyclohexadienone)perimidine 以 乙醇 为溶剂， 反应 6.5h， 生成 1,3-dimethyl-2',6'-di-tert-butyl-2,3-dihydrospiro
  参考文献：
  名称：

  Kharlamov, V. A.; Komissarov, V. N.; Ukhin, L. Yu., Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 8, p. 1550 - 1554

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-Dihydroperimidine-2-spiro-1'(3,5-di-tert-butyl-2,5-cyclohexadien-4-one) 、 碘甲烷 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 10.0h， 以21.1%的产率得到1,3-Dimethyl-2,3-dihydro-2-spiro-(4-2,6-di-tert-butyl-2,5-cyclohexadienone)perimidine
  参考文献：
  名称：

  Synthesis, structure and properties of perimidine spirans

  摘要：

  A study was carried out on a new class of photo- and thermochromic spirocyclic cyclohexadienoneperimidines and 4H-naphtholinoneperimidines. The structures of two of these compounds were determined. The lengths of the C(spiro)-N bonds were found to be unequivalent; one of these bonds is cleaved in the photo- and thermochromic transformations. The nitrogen atom of the perimidine ring in both compounds was found to have pyramidal configuration with cis arrangement of the unshared electron pairs, while the cyclohexadienone fragments are strongly distorted toward the boat conformation. The nature of the dependence of the photo- and thermochromic properties on their structure and solvent was established.

  DOI：

  10.1007/bf00958007

文献信息

• ALDOSHIN, S. M.;NOVOZHILOVA, M. A.;ATOVMYAN, L. O.;KOMISSAROV, V. N.;XARL+, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 702-708
  作者：ALDOSHIN, S. M.、NOVOZHILOVA, M. A.、ATOVMYAN, L. O.、KOMISSAROV, V. N.、XARL+

  DOI：——

  日期：——