(9CI)-2,5-二甲基-4-硝基苯并噻唑 | 650635-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: (9CI)-2,5-二甲基-4-硝基苯并噻唑
• 英文名称: 2,5-dimethyl-4-nitrobenzothiazole
• 英文别名: 4-nitro-2,5-dimethylbenzothiazole；2,5-Dimethyl-4-nitro-benzothiazol；4-nitro-2,5-dimethylbenzothiazol；2,5-Dimethyl-4-nitrobenzo[d]thiazole；2,5-dimethyl-4-nitro-1,3-benzothiazole
• CAS: 650635-66-8
• 化学式: C₉H₈N₂O₂S
• 分子量: 208.241
• InChiKey: FRJWQUZWZGTHCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  87
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (9CI)-2,5-二甲基-4-硝基苯并噻唑 在 盐酸 、 tin(ll) chloride 作用下， 反应 2.0h， 以70%的产率得到2,5-二甲基-1,3-苯并噻唑-4-胺
  参考文献：
  名称：

  Synthesis and antifungal activity of 6-arylthio-/6-Arylamino-4,7-dioxobenzothiazoles

  摘要：

  6-Arylthio-/6-arylamino-4,7-dioxobenzothiazoles were synthesized and tested for in vitro antifungal activity against Candida species and Aspergillus niger. 6-Arylamino-4,7-dioxobenzothiazoles 5 and 6 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzothiazoles 3 and 4. The 6-arylamino-substituted compounds 5 and 6 exhibited the greatest activity. In contrast, 6-arylthio-, 2-/5-methyl- or 5-methoxy-moieties of compounds 3-4 did not improve their antifungal activity significantly. The results of this study suggest that 6-arylamino-4,7-dioxobenzothiazoles would be potent antifungal agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00390-0
• 作为产物：
  描述：

  2,5-二甲基苯并噻唑 在 硫酸 、 硝酸 作用下， 反应 2.0h， 以92%的产率得到(9CI)-2,5-二甲基-4-硝基苯并噻唑
  参考文献：
  名称：

  Synthesis and antifungal activity of 6-arylthio-/6-Arylamino-4,7-dioxobenzothiazoles

  摘要：

  6-Arylthio-/6-arylamino-4,7-dioxobenzothiazoles were synthesized and tested for in vitro antifungal activity against Candida species and Aspergillus niger. 6-Arylamino-4,7-dioxobenzothiazoles 5 and 6 showed, in general, more potent antifungal activity than 6-arylthio-4,7-dioxobenzothiazoles 3 and 4. The 6-arylamino-substituted compounds 5 and 6 exhibited the greatest activity. In contrast, 6-arylthio-, 2-/5-methyl- or 5-methoxy-moieties of compounds 3-4 did not improve their antifungal activity significantly. The results of this study suggest that 6-arylamino-4,7-dioxobenzothiazoles would be potent antifungal agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00390-0

文献信息

• [EN] INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2<br/>[FR] INHIBITEURS DE 11-BETA-HYDROXY STEROIDE DEHYDROGENASE DE TYPE 1 ET DE TYPE 2
  申请人：STERIX LTD

  公开号：WO2004037251A1

  公开（公告）日：2004-05-06

  There is provided a compound having Formula (I): wherein one of R1 and R2 is a group of the Formula (a), wherein R4 is selected from H and hydrocarbyl, R5 is a hydrocarbyl group and L is an optional linker group, or R1 and R2 together form a ring substituted with the group (Formula (a)) wherein R3 is H or a substituent, and wherein X is selected from S, O, NR6 and C(R7)(R8), wherein R6 is selected from H and hydrocarbyl groups, wherein each of R7 and R8 are independently selected from H and hydrocarbyl groups.

  提供一种具有化学式(I)的化合物：其中R1和R2中的一个是化学式(a)的基团，其中R4从H和烃基中选择，R5是烃基，L是可选的连接基团，或者R1和R2一起形成一个环，该环被基团(FORMULA (a))取代，其中R3是H或取代基，X从S、O、NR6和C(R7)(R8)中选择，其中R6从H和烃基中选择，R7和R8分别从H和烃基中独立选择。
• Compound
  申请人：——

  公开号：US20040143124A1

  公开（公告）日：2004-07-22

  A compound having Formula I 1 wherein one of R 1 and R 2 is a group of the formula 2 wherein R 4 is selected from H and hydrocarbyl, R 5 is a hydrocarbyl group and L is an optional linker group, or R 1 and R 2 together form a ring substituted with the group 3 wherein R 3 is H or a substituent, and wherein X is selected from S, O, NR 6 and C(R 7 )(R 8 ), wherein R 6 is selected from H and hydrocarbyl groups, wherein each of R 7 and R 8 are independently selected from H and hydrocarbyl groups.

  化合物具有I1式，其中R1和R2中的一个是公式2的基团，其中R4从H和烃基中选择，R5是烃基团，L是可选的连接基团，或者R1和R2一起形成带有基团3的环，其中R3是H或取代基，X从S，O，NR6和C（R7）（R8）中选择，其中R6从H和烃基团中选择，R7和R8各自独立地从H和烃基团中选择。
• Kiprianow; Shmurowa, Zhurnal Obshchei Khimii, 1953, vol. 23, p. 493,502; engl. Ausg. S. 511, 518
  作者：Kiprianow、Shmurowa

  DOI：——

  日期：——
• INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2
  申请人：Sterix Limited

  公开号：EP1556040A1

  公开（公告）日：2005-07-27
• US7309715B2
  申请人：——

  公开号：US7309715B2

  公开（公告）日：2007-12-18