2-Aminobenzo[d]thiazole-7-carboxylic acid

Base Information

• Chemical Name: 2-Aminobenzo[d]thiazole-7-carboxylic acid
• CAS No.: 71224-95-8
• Molecular Formula: C₈H₆N₂O₂S
• Molecular Weight: 194.214
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID50604653
• Wikidata: Q72438082
• Mol file: 71224-95-8.mol

Synonyms:2-aminobenzo[d]thiazole-7-carboxylic acid;71224-95-8;2-amino-1,3-benzothiazole-7-carboxylic acid;2-AMINOBENZOTHIAZOLE-7-CARBOXYLIC ACID;2-amino-7-Benzothiazolecarboxylic acid;SCHEMBL687318;DTXSID50604653;VTUAYVWUPOHGAU-UHFFFAOYSA-N;MFCD13195418;AKOS015854764;FS-2999;2-aminobenzo[d]thiazole-7-carboxylicacid;AC-27166;DB-074405;CS-0005521;EN300-150271;A854025;J-508025;2-Aminobenzo[d]thiazole-7-carboxylic acid;7-Benzothiazolecarboxylicacid,2-amino-(6CI,9CI)

Chemical Property of 2-Aminobenzo[d]thiazole-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.65E-09mmHg at 25°C
• Refractive Index: 1.799
• Boiling Point: 466.6°C at 760 mmHg
• PKA: 1.09±0.10(Predicted)
• Flash Point: 236°C
• PSA: 104.45000
• Density: 1.604
• LogP: 2.15790
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• 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:

97% ^*data from raw suppliers

2-Aminobenzo[D]thiazole-7-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)N=C(S2)N)C(=O)O

Technology Process of 2-Aminobenzo[d]thiazole-7-carboxylic acid

There total 5 articles about 2-Aminobenzo[d]thiazole-7-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: 98.0%

1-(3-carboxyphenyl)-2-thiourea (37182-75-5) → 2-aminobenzo[d]thiazole-7-carboxylic acid (71224-95-8)

Guidance literature:

With bromine; In chloroform; at 20 ℃; for 63h; Heating / reflux;

Reference yield:

2-amino-7-benzothiazolecarboxylic acid ethyl ester (677304-89-1) → 2-aminobenzo[d]thiazole-7-carboxylic acid (71224-95-8)

Guidance literature:

With sodium hydroxide;

Reference yield:

3-aminobenzoic acid ethyl ester (582-33-2) → 2-aminobenzo[d]thiazole-7-carboxylic acid (71224-95-8)

Guidance literature:

Multi-step reaction with 3 steps

1: concentrated H₂SO₄; chlorobenzene

2: bromine; chlorobenzene

3: aqueous NaOH

With sodium hydroxide; sulfuric acid; bromine; chlorobenzene;

upstream raw materials:

2-amino-7-benzothiazolecarboxylic acid ethyl ester

3-aminobenzoic acid ethyl ester

3-[(aminothioxomethyl)amino]benzoic acid ethyl ester

1-(3-carboxyphenyl)-2-thiourea

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