6-(4-tolyl)imidazo[2,1-b][1,3,4]thiadiazole | 57771-98-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-(4-tolyl)imidazo[2,1-b][1,3,4]thiadiazole
• 英文别名: 6-p-tolyl-imidazo[2,1-b][1,3,4]thiadiazole；6-p-tolylimidazo[2,1-b][1,3,4]thiadiazole；6-p-Tolylimidazo<2,1-b>-1,3,4-thiadiazol；Imidazo[2,1-b]-1,3,4-thiadiazole, 6-(4-methylphenyl)-；6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
• CAS: 57771-98-9
• 化学式: C₁₁H₉N₃S
• 分子量: 215.279
• InChiKey: KLVOYOMLAVRBSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-甲苯基乙炔 、 6-(4-tolyl)imidazo[2,1-b][1,3,4]thiadiazole 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以67%的产率得到3,6-di-p-tolylimidazo[2,1-b]thiazole
  参考文献：
  名称：

  2-（芳基硫代）咪唑和咪唑并[2,1-方法b ]咪唑并从[2,1-噻唑b ] [1,3,4]通过开环和噻二唑-reconstruction †

  摘要：

  咪唑并[2,1- b ]噻唑衍生物的高效一锅合成已得到开发，并通过咪唑并[2,1- b ] [1,3,4]噻二唑的开环和闭环重构而进行在非常温和的反应条件下，在叔丁醇钾（t -BuOK）存在下，用苯乙炔与苯乙炔 在B3LYP / 6-31 + G（d，p）级别上使用DFT方法以计算方式计算了一种建议的机制。咪唑并[2,1- b ] [1,3,4]噻二唑也成功地转化为一系列的2-（芳硫基）-1 H-咪唑，使用的是芳基卤化物和乙酰丙酮铜（II）（Cu（ acac）2）在微波辐射条件下作为催化剂。这些反应的关键特征是使用现成的试剂，操作简单，方便地使用新的杂环合成子以及具有功能基团相容性的多种底物。

  DOI：

  10.1039/c6ob00102e
• 作为产物：
  描述：

  2-(2-imino-[1,3,4]thiadiazol-3-yl)-1-p-tolyl-ethanone 生成 6-(4-tolyl)imidazo[2,1-b][1,3,4]thiadiazole
  参考文献：
  名称：

  PENTIMALLI L.; MILANI G.; BIAVATI F., GAZZ. CHIM. ITAL. , 1975, 105, NO 7-8, 777-787

  摘要：

  DOI：

文献信息

• Pentimalli,L. et al., Gazzetta Chimica Italiana, 1975, vol. 105, p. 777 - 787
  作者：Pentimalli,L. et al.

  DOI：——

  日期：——
• HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS
  申请人：ATWAL KARNAIL S

  公开号：US20080249189A1

  公开（公告）日：2008-10-09

  The present invention is directed to the use of a compound of Formula I and physiologically acceptable salts thereof wherein G 1 , G 2 , G 3 , R 1 , R 2 , R 7 , R 3 , R 4 , and R 5 are defined herein. Compounds according to Formula I can be used to enhance a sweet taste produced by a tastant. The invention is also directed to compositions comprising a compound according to the above formula. Other aspects of the invention provide methods, compounds, and compositions for improved food products wherein the food product comprises a compound according to Formula I and a reduced amount of a sweet tastant.
• Heterocyclic Compounds as Sweetener Enhancers
  申请人：ATWAL Karnail S.

  公开号：US20100197813A1

  公开（公告）日：2010-08-05

  The present invention is directed to the use of a compound of Formula I and physiologically acceptable salts thereof wherein G 1 , G 2 , G 3 , R 1 , R 2 , R 7 , R 3 , R 4 , and R 5 are defined herein. Compounds according to Formula I can be used to enhance a sweet taste produced by a tastant. The invention is also directed to compositions comprising a compound according to the above formula. Other aspects of the invention provide methods, compounds, and compositions for improved food products wherein the food product comprises a compound according to Formula I and a reduced amount of a sweet tastant.
• US7674831B2
  申请人：——

  公开号：US7674831B2

  公开（公告）日：2010-03-09
• [EN] HETEROCYCLIC COMPOUNDS AS SWEETENER ENHANCERS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'AMPLIFICATEURS D'ÉDULCORANTS
  申请人：REDPOINT BIO CORP

  公开号：WO2008024364A2

  公开（公告）日：2008-02-28

  [EN] The present invention is directed to the use of a compound of Formula, ( I ) and physiologically acceptable salts thereof wherein G^1, G^2, G^3, R¹, R², R⁷, R³, R⁴, and R⁵ are defined herein. Compounds according to Formula I can be used to enhance a sweet taste produced by a tastant. The invention is also directed to compositions comprising a compound according to the above formula. Other aspects of the invention provide methods, compounds, and compositions for improved food products wherein the food product comprises a compound according to Formula, ( I ) and a reduced amount of a sweet tastant.
  [FR] La présente invention concerne l'utilisation d'un composé de formule (I) et de ses sels physiologiquement acceptables, G¹