2,3-二氢-1,3-二甲基-2-硫酮喹唑啉-4(1H)-酮 | 17730-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2,3-二氢-1,3-二甲基-2-硫酮喹唑啉-4(1H)-酮
• 英文名称: 1,3-dimethyl-2-thioxoquinazolin-4-one
• 英文别名: 1,3-Dimethyl-2-thioxo-4-quinazolone；1,3-dimethyl-2-thioxo-2,3-dihydro-1H-quinazolin-4-one；1,3-Dimethyl-2-thioxo-2,3-dihydro-1H-chinazolin-4-on；1.3-Dimethyl-4-oxo-2-thioxo-1.2.3.4-tetrahydro-chinazolin；4-Oxo-2-thioxo-1,3-dimethyl-1,2,3,4-tetrahydro-chinazolin；4-Oxo-2-thioxo-1.3-dimethyl-1.2.3.4-tetrahydro-chinazolin；4(1H)-Quinazolinone, 2,3-dihydro-1,3-dimethyl-2-thioxo-；1,3-dimethyl-2-sulfanylidenequinazolin-4-one
• CAS: 17730-53-9
• 化学式: C₁₀H₁₀N₂OS
• 分子量: 206.268
• InChiKey: GIZBHMKUYIKTCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 2,3-二氢-1,3-二甲基-2-硫酮喹唑啉-4(1H)-酮
  参考文献：
  名称：

  A New Mixed Amino–Amido N-Heterocyclic Carbene Based on Anthranilic Acid

  摘要：

  The synthesis of a new mixed amino-amido N-heterocyclic carbene (type A) starting from anthranilic acid is presented. A new straightforward synthetic approach to related diaminocarbenes of type B is also described. Both NHCs react with group 6 elements to form heteroureas and coordinate to L2CIM fragments (M = Rh, Ir; L-2 = COD, (CO)(2)). IR spectroscopic analysis of the carbonyl complexes reveals that the diamino-NHC is a better donor ligand (TEP: 2054 cm(-1)) compared to the amino-amido NHC (TEP: 2060 cm(-1)). In line with this behavior, a carbene dimerization to give the corresponding olefin is observed only for derivatives of type A. X-ray structure determinations are reported for two Rh complexes of ligand A and its cationic precursor.

  DOI：

  10.1021/om301152n

文献信息

• A mass spectral rearrangement of 2-(alkylamino)benzoic acid derivatives and related heterocyclic systems
  作者：Robert J. Barbuch、Norton P. Peet

  DOI：10.1002/oms.1210231204

  日期：1988.12

  AbstractThe behavior of a series of 2‐(alkylamino)benzoic acid derivatives and related heterocylic systems has been investigated using electron impact mass spectrometry and fragmentation pathways have been formulated. Deuterium‐labeled and 13C‐labeled compounds were used in this study. An interesting rearrangement of the alkylamino compounds, in which the alkyl substituent is incorporated into a fulvene ion, was observed. This rearrangement had previously been observed for 1‐alkylisatins and l‐alkyl‐3‐arylimino‐2‐indolinones.
• Synthesis and spectral examination of the position of tautomeric equilibrium in 2-thioxo-4-quinazolone
  作者：L. M. Yun、S. Yangibaev、Kh. M. Shakhidoyatov、V. Ya. Alekseeva、K. A. V'yunov

  DOI：10.1007/bf00478134

  日期：1986.9
• Fortmann, Journal fur praktische Chemie (Leipzig 1954), 1897, vol. <2> 55, p. 128
  作者：Fortmann

  DOI：——

  日期：——
• Yun, L. M.; Yangibaev, S.; Shakhidoyatov, Kh. M., Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 11.2, p. 2196 - 2200
  作者：Yun, L. M.、Yangibaev, S.、Shakhidoyatov, Kh. M.、Alekseeva, V. Ya.、V'yunov, K. A.

  DOI：——

  日期：——
• YUN L. M.; YANGIBAEV S.; SHAXIDOYATOV X. M.; ALEKSEEVA V. YA.; VYUNOV K. +, XIMIYA GETEROTSIKL. SOED.,(1986) N 9, 1236-1238
  作者：YUN L. M.、 YANGIBAEV S.、 SHAXIDOYATOV X. M.、 ALEKSEEVA V. YA.、 VYUNOV K. +

  DOI：——

  日期：——