2-propionyl-thiazole-4-carboxylic acid | 89791-92-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-propionyl-thiazole-4-carboxylic acid
• 英文别名: 2-Propionyl-thiazol-4-carbonsaeure；2-Propionyl-thiazol-carbonsaeure-(4)；2-Propionylthiazol-4-carbonsaeure；2-Propionyl-4-carboxy-thiazol；2-Propanoyl-1,3-thiazole-4-carboxylic acid
• CAS: 89791-92-4
• 化学式: C₇H₇NO₃S
• 分子量: 185.203
• InChiKey: QRYKLYRHEMJTOF-UHFFFAOYSA-N

物化性质

• 熔点：
  169-171 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
• 沸点：
  378.9±34.0 °C(Predicted)
• 密度：
  1.395±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-propionyl-thiazole-4-carboxylic acid 在 硫酸 作用下， 生成 噻唑-4-羧酸
  参考文献：
  名称：

  Brookes et al., Journal of the Chemical Society, 1957, p. 689,696

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴丙酮酸乙酯 、 2-benzoyloxy-thiobutyric acid amide 生成 2-propionyl-thiazole-4-carboxylic acid
  参考文献：
  名称：

  Brookes et al., Journal of the Chemical Society, 1957, p. 689,696

  摘要：

  DOI：

文献信息

• Thiostrepton. Degradation Products and Structural Features
  作者：Miklos. Bodanszky、Josef. Fried、John T. Sheehan、Nina J. Williams、Joseph. Alicino、Allen I. Cohen、Barbara T. Keeler、Carolyn A. Birkhimer

  DOI：10.1021/ja01066a035

  日期：1964.6
• COMPOUND
  申请人：Kokotos George

  公开号：US20110136879A1

  公开（公告）日：2011-06-09

  The invention provides compounds of formula (I) wherein X is O or S; R 1 is H, OH, SH, nitro, NH 2 , NHC 1-6 alkyl, N(C 1-6 alkyl) 2 , halo, haloC 1-6 alkyl, CN, C 1-6 -alkyl, OC 1-6 alkyl, C 1-6 alkylCOOH, C 1-6 alkylCOOC 1-6 alkyl, C 2-6 -alkenyl, C 3-10 cycloalkyl, C 6-10 aryl, C 1-6 alkylC 6-10 aryl, heterocyclyl, heteroaryl, CONH 2 , CONHC 1-6 alkyl, CON(C 1-6 alkyl) 2 , OCOC 1-6 alkyl, or is an acidic group, such as a group comprising a carboxyl, phosphate, phosphinate, sulfate, sulfonate, or tetrazolyl group; R 2 is as defined for R 1 or R 1 and R 2 taken together can form a 6-membered aromatic ring optionally substituted by up to 4 groups R 5 ; R 3 is H, halo (preferably fluoro), or CHal 3 (preferably CF 3 ), each R 5 is defined as for R 1 ; V 1 is a covalent bond or a C 1-20 alkyl group, or C 2-20 -mono or multiply unsaturated alkenyl group; said alkyl or alkenyl groups being optionally interupted by one or more heteroatoms selected from O, NH, N(C 1-6 alkyl), S, SO, or SO 2 ; M 1 is absent or is a C 5-10 cyclic group or a C 5-15 aromatic group; and R 4 is H, halo, OH, CN, nitro, NH 2 , NHC 1-6 alkyl, N(C 1-6 alkyl) 2 , haloC 1-6 alkyl, a C 1-20 alkyl group, or C 2-20 -mono or multiply unsaturated alkenyl group, said C 1-20 alkyl or C 2-20 alkenyl groups being optionally interupted by one or more heteroatoms selected from O, NH, N(C 1-6 alkyl), S, SO, or SO 2 ; with the proviso that the group V 1 M 1 R 4 as a whole provides at least 4 backbone atoms from the C(R 3 ) group; or a salt, ester, solvate, N-oxide, or prodrug thereof; for use in the treatment of a chronic inflammatory condition.
• US9597318B2
  申请人：——

  公开号：US9597318B2

  公开（公告）日：2017-03-21