Ethyl 3,5-dimethyl-1,2-thiazole-4-carboxylate | 120586-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ethyl 3,5-dimethyl-1,2-thiazole-4-carboxylate
• CAS: 120586-33-6
• 化学式: C₈H₁₁NO₂S
• 分子量: 185.247
• InChiKey: INLREDTUFIFXAL-UHFFFAOYSA-N

物化性质

• 沸点：
  190.0±40.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 3,5-dimethyl-1,2-thiazole-4-carboxylate 在 lithium aluminium tetrahydride 、 sodium azide 、 N-羟基-7-氮杂苯并三氮唑 、 四溴化碳 、 水 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-3-((2S,4R)-4-Benzyl-5-oxo-tetrahydro-furan-2-carbonyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid (3,5-dimethyl-isothiazol-4-ylmethyl)-amide
  参考文献：
  名称：

  Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus

  摘要：

  A series of highly potent HIV protease inhibitors have been designed and synthesized. These compounds are active against various clinical viral isolates as well as wild-type virus. The synthesis and biological activity of these HIV protease inhibitors are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00262-2
• 作为产物：
  描述：

  5-氨基-3-甲基异噻唑-4-羧酸乙酯 在 bis-triphenylphosphine-palladium(II) chloride 、 碘 、 亚硝酸异戊酯 作用下， 以 氯仿 、 甲苯 为溶剂， 生成 Ethyl 3,5-dimethyl-1,2-thiazole-4-carboxylate
  参考文献：
  名称：

  Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus

  摘要：

  A series of highly potent HIV protease inhibitors have been designed and synthesized. These compounds are active against various clinical viral isolates as well as wild-type virus. The synthesis and biological activity of these HIV protease inhibitors are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00262-2

文献信息

• Cuadrado, Purificacion; Gonzalez, Ana Ma; Pulido, Fco. Jose, Synthetic Communications, 1988, vol. 18, # 15, p. 1847 - 1854
  作者：Cuadrado, Purificacion、Gonzalez, Ana Ma、Pulido, Fco. Jose

  DOI：——

  日期：——
• CUADRADO, PURIFICACION;GONZALEZ, ANA M(A);PULIDO, FCO. JOSE, SYNTH. COMMUN., 18,(1988) N 15, C. 1847-1853
  作者：CUADRADO, PURIFICACION、GONZALEZ, ANA M(A)、PULIDO, FCO. JOSE

  DOI：——

  日期：——
• Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus
  作者：Zhijian Lu、Subharekha Raghavan、Joann Bohn、Mark Charest、Mark W. Stahlhut、Carrie A. Rutkowski、Amy L. Simcoe、David B. Olsen、William A. Schleif、Anthony Carella、Lori Gabryelski、Lixia Jin、Jiunn H. Lin、Emilio Emini、Kevin Chapman、James R. Tata

  DOI：10.1016/s0960-894x(03)00262-2

  日期：2003.5

  A series of highly potent HIV protease inhibitors have been designed and synthesized. These compounds are active against various clinical viral isolates as well as wild-type virus. The synthesis and biological activity of these HIV protease inhibitors are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.