4,5-二甲基-2-苯基-3,6-二氢-2H-1,2-噻嗪1-氧化 | 13616-69-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4,5-二甲基-2-苯基-3,6-二氢-2H-1,2-噻嗪1-氧化
• 英文名称: 4,5-dimethyl-2-phenyl-3,6-dihydro-2H-[1,2]thiazine 1-oxide
• 英文别名: 4,5-Dimethyl-2-phenyl-3,6-dihydro-2H-[1,2]thiazin-1-oxid；2-Phenyl-4,5-dimethyl-3,6-dihydro-<1,2>thiazin-1-oxid；2-Phenyl-4,5-dimethyl-3,6-dihydro-1,2-thiazin-1-oxid；4,5-Dimethyl-2-phenyl-1-oxo-3,6-dihydro-1,2-thiazin；4,5-Dimethyl-2-phenyl-3,6-dihydro-2H-1,2-thiazine 1-oxide；4,5-dimethyl-2-phenyl-3,6-dihydrothiazine 1-oxide
• CAS: 13616-69-8
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: AEKOUOIDAINDAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4,5-二甲基-2-苯基-3,6-二氢-2H-1,2-噻嗪1-氧化 在 盐酸 作用下， 生成 N-(2,3-dimethyl-but-3-enyl)-aniline
  参考文献：
  名称：

  Wichterle; Rocek, Chemicke Listy, 1953, vol. 47, p. 1768,1779

  摘要：

  DOI：
• 作为产物：
  描述：

  N-亚磺酰苯胺 、 2,3-二甲基-1,3-丁二烯 生成 4,5-二甲基-2-苯基-3,6-二氢-2H-1,2-噻嗪1-氧化
  参考文献：
  名称：

  Wichterle; Rocek, Chemicke Listy, 1953, vol. 47, p. 1768,1779

  摘要：

  DOI：

文献信息

• Metalation and alkylation of 3,6-dihydrothiazine 1-oxides prepared via Diels-Alder cycloadditions of N-sulfinyl dienophiles
  作者：Scott I. Bell、M. Parvez、Steven M. Weinreb

  DOI：10.1021/jo00001a068

  日期：1991.1

  The deprotonation of various 3,6-dihydrothiazine 1-oxides using LDA or methyllithium has been investigated. It was found that the stability and chemistry of these lithiated heterocycles are highly dependent upon the nature of the ring nitrogen substituent. Thus, N-alkyldihydrothiazine oxides can be metalated at C-6 to give species postulated as 9, which undergo predominantly anti alkylation with alkyl halides. Alternatively, with MeOD, 9 is deuterated at C-6 primarily in a syn mode. N-Silylated heterocycles ring open rapidly and stereoselectively upon metalation to give dienic sulfinamides like 19, which can be reclosed to the starting dihydrothiazine oxides. N-Phenyl-substituted 3,6-dihydrothiazine 1-oxides upon metalation give mixtures of pyrroles and N-S bond cleavage products. Attempts to generate the dianion from NH dihydrothiazine oxide 17 led only to low yields of C-4 alkylated products with alkyl halides.
• Wichterle; Rocek, Collection of Czechoslovak Chemical Communications, 1954, vol. 19, p. 282,294
  作者：Wichterle、Rocek

  DOI：——

  日期：——
• Rocek, Collection of Czechoslovak Chemical Communications, 1954, vol. 19, p. 275,279
  作者：Rocek

  DOI：——

  日期：——
• Butler, Richard N.; O'Halloran, Gerard A.; Burke, Luke A., Journal of the Chemical Society. Perkin transactions II, 1989, p. 1855 - 1860
  作者：Butler, Richard N.、O'Halloran, Gerard A.、Burke, Luke A.

  DOI：——

  日期：——
• Wichterle; Rocek, Chemicke Listy, 1953, vol. 47, p. 1768,1779
  作者：Wichterle、Rocek

  DOI：——

  日期：——