CAS: 93-85-6; 2-Aminobenzo[d]Thiazole-6-Carboxylic Acid

• 英文名称2-Aminobenzo[d]Thiazole-6-Carboxylic Acid
• 中文名称2-氨基苯并噻唑-6-甲酸
• IUPAC名称2-amino-1,3-benzothiazole-6-carboxylic acid
• 其它别名2-氨基苯丙噻唑-6-羧酸; 2-Aminobenzothiazole-6-Carboxylic Acid
• CAS编号93-85-6
• MFCD编号:MFCD00054180
• EINECS号:202-283-8
• 分子式:C8H6N2O2S
• 分子量:194.21
• 产品CID: 1981112
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并噻唑类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ZEAKWWWXCZMODH-UHFFFAOYSA-N
• InChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)…
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点265°C
• 沸点466.6°C at 760 mmHg
• 闪点236°C
• 密度1.604
• pKa:3.99±0.30(预测)
• PSA:76.21
• LogP:1.5767
• 外观形态类白色固体
• 储存条件2-8°C(避光保存)

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi
• 安全声明26-37
• 危险类别码36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2-Aminobenzothiazole-6-Carboxylic Acid 主要起始原料 Sodium Thiocyanate And 4-Aminobenzoic Acid
• 150-13-0 + 1762-95-4 = 93-85-6
  反应条件:1.1 Reagents: Benzyltrimethylammonium Dichloroiodate Solvents: Dimethyl Sulfoxide,Water; 1 H,70 °C; 70 °C -> Rt1.2 Reagents: Water; Rt
  标题:An Efficient One-Pot Synthesis Of 2-Aminobenzothiazoles From Substituted Anilines Using Benzyltrimethylammonium Dichloroiodate And Ammonium Thiocyanate In Dmso:H2O
  作者:Dass,Reuben; Peterson,Matt A.
  参考文献:Tetrahedron Letters 日期:2021 卷标:83]
  
  68867-21-0 = 93-85-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 10 H,100 °C
  标题:A Study Of The Synthesis Of Benzo[d]Thiazolone-6-Carboxylic Acid
  作者:Zhu,Hui; Luo,Zi-Li; Yang,Ri-Fang; Yun,Liu-Hong
  参考文献:Jiefangjun Yaoxue Xuebao 日期:2011 卷标:27(3) 页码:197-198]
  
  7366-56-5 = 93-85-6
  反应条件:1.1 Reagents: Bromine Solvents: Chloroform; 1 H,< 10 °C; 30 Min,Reflux
  标题:Synthesis,Characterization And Analgesic Activity Of Some Novel Substituted 2-Amino Benzothiazole Derivatives
  作者:Raju,D. Nooka; Devi,D. V. R. Subhadra; Aghastina,D. Grace; Rao,K. Govinda; Kumar,K. Sathish
  参考文献:World Journal Of Pharmacy And Pharmaceutical Sciences 日期:2015 卷标:4(5) 页码:1815-1821]
  
  302-04-5 + 150-13-0 = 93-85-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid
  标题:The Exchange Adsorption Of Ions From Aqueous Solutions By Organic Zeolites. I. Ion-Exchange Equilibria
  作者:Boyd,G. E.; Schubert,J.; Adamson,A. W.
  参考文献:Journal Of The American Chemical Society 日期:1947 卷标:69 页码:2818-29]
  
  150-13-0 + 1762-95-4 = 93-85-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water1.2 Reagents: Bromine Solvents: Acetic Acid; 2 H,Reflux
  标题:Synthesis,Characterization And Pharmacological Studies Of Biologically Active Benzothiazole Derivatives
  作者:Maruthamuthu,D.; Rajam,P. Shameela; Stella,P. Christina Ruby; Ranjith,R.
  参考文献:World Journal Of Pharmaceutical Research 日期:2014 卷标:3 页码:1165-1173]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid,Water; Rt -> 0 °C; 0 - 10 °C; 1 H,5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Reflux
  标题:Synthesis And Anti-Microbial Activity Of Some New 2-Amino Substituted Benzothiazole Derivatives
  作者:Malik,Jitender K.; Manvi,F. V.; Nanjwade,B. K.; Singh,Sanjiv
  参考文献:Journal Of Pharmacy Research 日期:2009 卷标:2(9) 页码:1383-1384]
  
  66947-92-0 = 93-85-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 4 H,Rt
  标题:Phenylimidazole Derivatives As New Inhibitors Of Bacterial Enoyl-Acp Reductase Fabk
  作者:Kitagawa,Hideo; Ozawa,Tomohiro; Takahata,Sho; Iida,Maiko
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(17) 页码:4982-4986]
  
  93-85-6 = 93-85-6
  反应条件:1.1 Reagents: Ammonium Hydroxide,Iron Chloride (Fecl3),Ferrous Chloride Solvents: Water; 6 H,80 °C
  标题:Preparation And Characterization Of A Novel Magnetic Nano Catalyst For Synthesis And Antibacterial Activities Of Novel Furan-2(5H)-Ones Derivatives
  作者:Hao,Feng; Wang,Xia; Mohammadnia,Majid
  参考文献:Polycyclic Aromatic Compounds 日期:2022 卷标:42(7) 页码:4255-4269]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Solvents: Acetic Acid; 50 Min,Rt1.2 Reagents: Bromine; 0 °C; 24 H,Rt1.3 Solvents: Water; 1.5 H,70 - 80 °C1.4 Reagents: Ammonia Solvents: Water; Ph 6
  标题:Development Highly Water-Soluble Fluorescent Dyes With Preferred Binding Activities To Biomolecules And Spectrophotometric Properties
  参考文献:World Intellectual Property Organization]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Reagents: Iodate(1-),Dichloro-,Sodium Solvents: Dimethyl Sulfoxide,Water; 5 Min,Rt; Rt -> 70 °C; 10 H,70 °C1.2 Reagents: Water
  标题:A Novel System For The Synthesis Of 2-Aminobenzothiazoles Using Sodium Dichloroiodate
  作者:Telvekar,Vikas N.; Bachhav,Harshal M.; Bairwa,Vinod Kumar
  参考文献:Synlett 日期:2012 卷标:23(15) 页码:2219-2222]
  
  = 93-85-6
  反应条件:1.1 Reagents: Lithium Hydroxide,Monohydrate Solvents: Tetrahydrofuran,Water; 24 H,Rt
  标题:Preparation Of N-(2-Amino And 2-Hydroxy)Phenyl Carboxamides As Inhibitors Of Histone Deacetylase
  参考文献:World Intellectual Property Organization]
  
  150-13-0 + 1762-95-4 = 93-85-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid; 30 Min,5 - 10 °C; 10 °C -> Rt; 30 Min,Rt; Rt1.2 Reagents: Ammonium Hydroxide Solvents: Water; Ph 6,Rt
  标题:Salts Of 6-Carboxy-3-Methylbenzothiazolone Hydrazone Hydrate In Colorimetric Determination Of Hydrogen Peroxide
  参考文献:United States]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid,Water; Rt -> 0 °C; 0 - 10 °C; 1 H,5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Reflux
  标题:Synthesis And Screening Of Some New 2-Amino Substituted-Benzothiazole Derivatives For Antifungal Activity
  作者:Malik,Jitender K.; Manvi,F. V.; Nanjwade,B. K.; Singh,Sanjiv
  参考文献:Drug Invention Today 日期:2009 卷标:1(1) 页码:32-34]
  
  68867-21-0 = 93-85-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 6 H,100 °C
  标题:Preparation Of Novel Piperazine Derivatives As Dopamine D3 Receptor Ligands
  参考文献:United States]
  
  68867-21-0 = 93-85-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 6 H,100 °C
  标题:Preparation Of Piperazine Derivatives As Dopamine D3 Receptor Ligands
  参考文献:World Intellectual Property Organization]
  
  150-13-0 + 590-28-3 = 93-85-6
  反应条件:1.1 Solvents: Acetic Acid; 50 Min,Rt1.2 Reagents: Bromine; 0 °C; 24 H,Rt1.3 Solvents: Water; 1.5 H,70 - 80 °C
  标题:Dye Compound And A Labeling Method Thereof
  参考文献:Korea]
  
  99-05-8 + 1762-95-4 = 93-85-6
  反应条件:1.1 Reagents: Acetic Acid,Bromine; 3 H,0 - 10 °C
  标题:Design And Synthesis Of Quinazolinone,Benzothiazole Derivatives Bearing Guanidinopropanoic Acid Moiety And Their Schiff Bases As Cytotoxic And Antimicrobial Agents
  作者:Venkatesh,Palani; Tiwari,Vijay Shankar
  参考文献:Arabian Journal Of Chemistry 日期:2016 卷标:9]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Solvents: Acetic Acid; 10 - 20 Min,Cooled1.2 Reagents: Bromine Solvents: Acetic Acid; < 10 °C; 2 - 4 H,Rt1.3 Reagents: Ammonium Hydroxide Solvents: Water; Ph 11
  标题:Chrysin-Benzothiazole Conjugates As Antioxidant And Anticancer Agents
  作者:Mistry,Bhupendra M.; Patel,Rahul V.; Keum,Young-Soo; Kim,Doo Hwan
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(23) 页码:5561-5565]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid; < 10 °C; 30 Min,< 10 °C1.2 Solvents: Water
  标题:Synthesis,Characterization And Evaluation For Antifungal Activity Of Substituted (Diaryl)Imidazo[2,1-B]Benzothiazoles
  作者:Malik,Jitender K.; Soni,Himesh; Singhai,A. K.
  参考文献:Journal Of Pharmacy Research (Gurgaon 日期:2013 卷标:7(1) 页码:39-46]
  
  150-13-0 + 333-20-0 = 93-85-6
  反应条件:1.1 Reagents: Acetic Acid,Bromine Solvents: Water; Rt -> 0 °C; 0 - 10 °C; 1 H,5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Reflux
  标题:Synthesis And Preliminary In-Vitro Cytotoxic Activity Of Novel Substituted Diaryl-Imidazo [2,1,B]-Benzothiazole Derivatives
  作者:Malik,Jitender K.; Noolvi,Malleshappa N.; Manvi,Fakkirappa V.; Nanjwade,B. K.; Patel,Harun M.; Et Al
  参考文献:Letters In Drug Design & Discovery 日期:2011 卷标:8(8) 页码:717-724

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