3,4-dihydro-3,3,5,8-tetramethyl-2-thioxo-S-tert-butylimido-1-(2H)naphthalenone | 68756-84-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 3,4-dihydro-3,3,5,8-tetramethyl-2-thioxo-S-tert-butylimido-1-(2H)naphthalenone
• 英文别名: 2-(tert-butylimino-lambda4-sulfanylidene)-3,3,5,8-tetramethyl-4H-naphthalen-1-one；2-(tert-butylimino-λ4-sulfanylidene)-3,3,5,8-tetramethyl-4H-naphthalen-1-one
• CAS: 68756-84-3
• 化学式: C₁₈H₂₅NOS
• 分子量: 303.469
• InChiKey: MSDKLTMMPGZTNF-UHFFFAOYSA-N

物化性质

• 熔点：
  121-123 °C (decomp)
• 沸点：
  423.3±55.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  30.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-3,3,5,8-tetramethyl-2-thioxo-S-tert-butylimido-1-(2H)naphthalenone 以 氯苯 为溶剂， 反应 3.0h， 以20%的产率得到trans-1,1'',2,2'',3,3'',4,4''-octahydro-3,3,3'',3'',5,5'',8,8''-octamethyldispirotrithiolane-5',2''-naphthalene>-1,1''-dione
  参考文献：
  名称：

  New Reactions of Thione S-(tert-Alkylimides).

  摘要：

  Two new alpha-chloro sulfenyl chlorides 1, four new 2-thioxo-1-tetralone S-imides 2 (X = CH2), and one new 3-thioxochroman-4-one S-imide 2 (X = O) have been prepared and characterized by comprehensive spectroscopy and, in one case, an X-ray crystal structure determination. Pyrolysis of 2 leads to the corresponding 1,2,4-trithiolanes 3 after extensive sulfur scrambling. Addition of arenethiols to 2 (R-5 = t-Bu), but not 2 (R-5 = 1-adamantyl), leads to the corresponding adducts 13 with an unusual dithioacetal structure. Ozonolysis of 2 gives the corresponding alpha-diketones such as 16.

  DOI：

  10.3891/acta.chem.scand.53-0284
• 作为产物：
  描述：

  2-Chlor-2-chlorosulfenyl-3,4-dihydro-3,3,5,8-tetramethyl-1-(2H)-naphthalenon 、 叔丁胺 以 乙醇 、 氯仿 为溶剂， 生成 3,4-dihydro-3,3,5,8-tetramethyl-2-thioxo-S-tert-butylimido-1-(2H)naphthalenone
  参考文献：
  名称：

  Crossland,I., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1977, vol. 31, p. 890 - 894

  摘要：

  DOI：

文献信息

• CROSSLAND I., ACTA CHEM. SCAND., 1977, B31, NO 10, 890-894
  作者：CROSSLAND I.

  DOI：——

  日期：——
• New Reactions of Thione S-(tert-Alkylimides).
  作者：Mohamed I. Hegab、Farouk M. E. Abdel-Megeid、Farouk A. Gad、Sayed A. Shiba、Inger Søtofte、Jørgen Møller、Alexander Senning、Xin-Kan Yao、Hong-Gen Wang、J. -P. Tuchagues、Mattias Ögren

  DOI：10.3891/acta.chem.scand.53-0284

  日期：——

  Two new alpha-chloro sulfenyl chlorides 1, four new 2-thioxo-1-tetralone S-imides 2 (X = CH2), and one new 3-thioxochroman-4-one S-imide 2 (X = O) have been prepared and characterized by comprehensive spectroscopy and, in one case, an X-ray crystal structure determination. Pyrolysis of 2 leads to the corresponding 1,2,4-trithiolanes 3 after extensive sulfur scrambling. Addition of arenethiols to 2 (R-5 = t-Bu), but not 2 (R-5 = 1-adamantyl), leads to the corresponding adducts 13 with an unusual dithioacetal structure. Ozonolysis of 2 gives the corresponding alpha-diketones such as 16.
• Crossland,I., Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1977, vol. 31, p. 890 - 894
  作者：Crossland,I.

  DOI：——

  日期：——