2-Aminobenzothiazole-6-carboxylic acid

Base Information

• Chemical Name: 2-Aminobenzothiazole-6-carboxylic acid
• CAS No.: 93-85-6
• Molecular Formula: C8H6N2O2
• Molecular Weight: 194.214
• Hs Code.: 29342000
• European Community (EC) Number: 202-283-8
• NSC Number: 39119
• DSSTox Substance ID: DTXSID4059093
• Nikkaji Number: J40.176E
• Wikidata: Q72438077
• ChEMBL ID: CHEMBL394974
• Mol file: 93-85-6.mol

Synonyms:93-85-6;2-Aminobenzothiazole-6-carboxylic acid;2-aminobenzo[d]thiazole-6-carboxylic acid;2-amino-1,3-benzothiazole-6-carboxylic acid;6-Benzothiazolecarboxylic acid, 2-amino-;2-Amino-benzothiazole-6-carboxylic acid;C8H6N2O2S;MFCD00054180;2-amino-6-benzothiazolecarboxylic acid;CHEMBL394974;EINECS 202-283-8;2-aminobenzothiazole-6-carboxylicacid;NSC 39119;NSC39119;Oprea1_294753;Oprea1_320657;CBDivE_005564;SCHEMBL211024;2-Amino-6-carboxybenzothiazole;DTXSID4059093;HMS1675M08;BCP26735;BBL008024;BDBM50371222;NSC-39119;STK199422;AKOS000112076;2-Aminobenzothiazole-6-carboxylic?acid;BA-0937;CS-W019497;2-aminobenzo[d]thiazole-6-carboxylicacid;AC-22974;SY017790;AM20041420;BB 0244036;EU-0000300;FT-0646741;EN300-35251;VU0052197-2;AG-205/01887016;SR-01000390791;J-508024;SR-01000390791-1;F3267-0001

Chemical Property of 2-Aminobenzothiazole-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.65E-09mmHg at 25°C
• Melting Point: 265 °C
• Boiling Point: 466.6 °C at 760 mmHg
• PKA: 3.99±0.30(Predicted)
• Flash Point: 236 °C
• PSA: 104.45000
• Density: 1.604 g/cm³
• LogP: 2.15790
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.01499861
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

2-AMINO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)SC(=N2)N

Technology Process of 2-Aminobenzothiazole-6-carboxylic acid

There total 16 articles about 2-Aminobenzothiazole-6-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

potassium thioacyanate (333-20-0) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 2-aminobenzothiazole-6-carboxylic acid (93-85-6)

Guidance literature:

With sodium iodide dichloride; at 70 ℃; for 10h;

DOI:10.1055/s-0032-1317080

Reference yield: 97.0%

→ 2-aminobenzothiazole-6-carboxylic acid (93-85-6)

Guidance literature:

Reference yield: 89.0%

ammonium thiocyanate + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 2-aminobenzothiazole-6-carboxylic acid (93-85-6)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In water; dimethyl sulfoxide; at 70 ℃; for 1h;

DOI:10.1016/j.tetlet.2021.153388

upstream raw materials:

N-(6-methylbenzo[d]thiazol-2-yl)acetamide

ethyl 2-aminobenzothiazole-6-carboxylate

ammonium thiocyanate

4-amino-benzoic acid

Downstream raw materials:

2-acetamidobenzo[d]thiazole-6-carboxylic acid

2-aminobenzo[d]thiazole-6-carboxylic acid methyl ester

2-oxo-2,3-dihydro-1,3-benzothiazole-6-carboxylic acid

2-(2-chlorophenyl)-3-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]benzothiazole-7-carboxylic acid

Refernces

• 1、 -. "Dye compounds". Page/Page column 64-65. . Retrieved 2019/11/26.
• 2、 -. "Dye compounds". Paragraph 0132; 0144-0147. . Retrieved 2018/08/24.