(E)-1-(4-bromophenyl)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methylsulfanylprop-2-en-1-one | 1422525-20-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: (E)-1-(4-bromophenyl)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methylsulfanylprop-2-en-1-one
• CAS: 1422525-20-9
• 化学式: C₁₉H₁₇BrN₂OS₂
• 分子量: 433.393
• InChiKey: INKXVUCKXARFIC-VCHYOVAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5,6-二甲基苯并噻唑 、 1-(4-溴苯基)-3,3-双甲基磺酰基丙酮 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-1-(4-bromophenyl)-3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-methylsulfanylprop-2-en-1-one
  参考文献：
  名称：

  Synthesis, crystal structure and antidiabetic activity of substituted (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one

  摘要：

  A novel series of substituted (E)-3-(Benzo [d]thiazol-2-ylamino)phenylprop-2-en-1-onewere synthesized starting from 2-aminobenzothiazole and 1-aryl-3,3-bis- (methylsulfanyl)-2-propen-1-onesin the presence of a catalytic amount of sodium hydride in THE The synthesised compounds' structures were confirmed by IR, Mass spectrometry, H-1 NMR, C-13 NMR and HRMS spectral data. These compounds were evaluated for their antidiabetic activity, and most of the derivatives of (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one displayed significant antidiabetic activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.11.020

文献信息

• Synthesis, crystal structure and antidiabetic activity of substituted (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one
  作者：Vijay S. Patil、Kamalakar P. Nandre、Sougata Ghosh、Vaidya Jayathirtha Rao、Balu A. Chopade、Balasubramanian Sridhar、Sheshanath V. Bhosale、Sidhanath V. Bhosale

  DOI：10.1016/j.ejmech.2012.11.020

  日期：2013.1

  A novel series of substituted (E)-3-(Benzo [d]thiazol-2-ylamino)phenylprop-2-en-1-onewere synthesized starting from 2-aminobenzothiazole and 1-aryl-3,3-bis- (methylsulfanyl)-2-propen-1-onesin the presence of a catalytic amount of sodium hydride in THE The synthesised compounds' structures were confirmed by IR, Mass spectrometry, H-1 NMR, C-13 NMR and HRMS spectral data. These compounds were evaluated for their antidiabetic activity, and most of the derivatives of (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one displayed significant antidiabetic activity. (C) 2012 Elsevier Masson SAS. All rights reserved.