2-氨基-5-氯-6-甲基-1,3-苯并噻唑 | 50850-98-1

• 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: 2-氨基-5-氯-6-甲基-1,3-苯并噻唑
• 中文别名: 5-氯-6-甲基-2-苯并噻唑胺
• 英文名称: 5-chloro-6-methyl-benzothiazol-2-ylamine
• 英文别名: 5-Chloro-6-methyl-1,3-benzothiazol-2-amine
• CAS: 50850-98-1
• 化学式: C₈H₇ClN₂S
• mdl: MFCD03725038
• 分子量: 198.676
• InChiKey: FFWBEOJHVGXEMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  356.2±34.0 °C(Predicted)
• 密度：
  1.452±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934200090

反应信息

• 作为反应物：
  描述：

  2-氨基-5-氯-6-甲基-1,3-苯并噻唑 、 2,2,2-三氟乙酰氨基-15N 在 三乙醇胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以95%的产率得到
  参考文献：
  名称：

  Synthesis and Properties of C,N-Chelated Carbene Complexes of Palladium(II) with 2-Aminobenzo[d]thiazole Fragment

  摘要：

  The reaction of bis(cyclohexylisocyanide) complex of Pd(II) with substituted benzo[d]thiazole-2-amines in the presence of triethanolamine as the base has lead to the formation of deprotonated C,N-chelated carbene complexes with a structure similar to that described previously for the products of the reaction with unsubstituted benzo[d]thiazole-2-amine. The complexes have been isolated and characterized using high-resolution mass spectrometry, IR and NMR spectroscopy (H-1, C-13{H-1}, H-1-H-1 COSY, H-1-H-1 NOESY, H-1-C-13 HSQC, H-1-C-13 HMBC). The resulting complexes have exhibited moderate antibacterial activity against sensitive strains of gram-negative bacteria E. coli (C600) and P. fluorescens (P218), gram-positive bacteria S. aureus (ATCC-25923) and B. subtillis (B-3142D) as well as fungi C. albicans (401/NCTC-885-653).

  DOI：

  10.1134/s1070363219100128

文献信息

• The synthesis of some 4<i>H</i>-pyrimido[2,1-<i>b</i>]benzothiazol-4-ones
  作者：Robert J. Alaimo

  DOI：10.1002/jhet.5570100515

  日期：1973.10

  A series of 8-substituted and 7,8-disubstituted-4-oxo-3-(4H-pyrimido[2,1-b]benzothiazole)carboxylic acids and esters including a 9-aza analog were synthesized from substituted 2-aminobenzothiazoles and diethyl ethoxymethylenemalonate. The 9-aza analog, ethyl 8-methoxy-4-oxo-3-(4H-pyrido[3′,2′:4,5]thiazolo[3,2-a]pyrimidine)carboxylate (56), represents the first preparation of this new heterocyclic ring

  由取代的2-氨基苯并噻唑合成了一系列的8-取代和7,8-二取代-4-氧代-3-（4 H-嘧啶[ 2,1- b ]苯并噻唑）羧酸和酯，包括9-氮杂类似物。和乙氧基亚甲基丙二酸二乙酯。9-氮杂类似物，乙基8-甲氧基-4-氧代-3-（4 H-吡啶基[3'，2'：4,5]噻唑并[3,2- a ]嘧啶）羧酸盐（56）首先准备这个新的杂环。检查了这些化合物的抗寄生虫活性，但是未检测到显着活性。
• Heterocyclic Compounds Which Modulate The CB2 Receptor
  申请人：Bartolozzi Alessandra

  公开号：US20110312944A1

  公开（公告）日：2011-12-22

  Compounds which modulate the CB2 receptor are disclosed. Compounds according to the invention bind to and are agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  本发明揭示了调节CB2受体的化合物。根据本发明，这些化合物与CB2受体结合并作为激动剂，用于治疗炎症。那些作为激动剂的化合物还可用于治疗疼痛。
• US8889670B2
  申请人：——

  公开号：US8889670B2

  公开（公告）日：2014-11-18
• Synthesis and Properties of C,N-Chelated Carbene Complexes of Palladium(II) with 2-Aminobenzo[d]thiazole Fragment
  作者：A. S. Mikherdov、S. V. Baikov、I. K. Proskurina、A. A. Shetnev、A. D. Kotov

  DOI：10.1134/s1070363219100128

  日期：2019.10

  The reaction of bis(cyclohexylisocyanide) complex of Pd(II) with substituted benzo[d]thiazole-2-amines in the presence of triethanolamine as the base has lead to the formation of deprotonated C,N-chelated carbene complexes with a structure similar to that described previously for the products of the reaction with unsubstituted benzo[d]thiazole-2-amine. The complexes have been isolated and characterized using high-resolution mass spectrometry, IR and NMR spectroscopy (H-1, C-13H-1}, H-1-H-1 COSY, H-1-H-1 NOESY, H-1-C-13 HSQC, H-1-C-13 HMBC). The resulting complexes have exhibited moderate antibacterial activity against sensitive strains of gram-negative bacteria E. coli (C600) and P. fluorescens (P218), gram-positive bacteria S. aureus (ATCC-25923) and B. subtillis (B-3142D) as well as fungi C. albicans (401/NCTC-885-653).