2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

Base Information

• Chemical Name: 2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
• CAS No.: 6941-28-2
• Molecular Formula: C9H7NO2S
• Molecular Weight: 193.226
• Hs Code.: 2934200090
• Mol file: 6941-28-2.mol

Synonyms:2-Methyl-6-benzothiazolecarboxylicacid;6-Carboxy-2-methylbenzothiazole;NSC 60500;

Chemical Property of 2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 229-232 °C
• Refractive Index: 1.702
• Boiling Point: 385.221 °C at 760 mmHg
• PKA: 3.77±0.30(Predicted)
• Flash Point: 186.775 °C
• PSA: 78.43000
• Density: 1.431 g/cm³
• LogP: 2.30290
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)

Purity/Quality:

97% ^*data from raw suppliers

2-Methylbenzothiazole-6-carboxylicAcid(~90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-METHYL-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

There total 6 articles about 2-METHYL-1,3-BENZOTHIAZOLE-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: 90.0%

4-amino-3-mercaptobenzoic acid (14543-45-4) + thioacetamide (62-55-5) → 2-methyl-1,3-benzothiazole-6-carboxylic acid (6941-28-2)

Guidance literature:

With hydrogenchloride; In ethylene glycol; Heating;

DOI:10.1080/00397919608003762

Reference yield: 82.0%

4-(acetylamino)-3-iodo-benzoic acid methyl ester (190071-23-9) → 2-methyl-1,3-benzothiazole-6-carboxylic acid (6941-28-2)

Guidance literature:

4-(acetylamino)-3-iodo-benzoic acid methyl ester; With copper(l) iodide; sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

With hydrogenchloride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1002/anie.200900486

Reference yield:

benzothiazole-6-carboxylic acid (3622-35-3) + methyl iodide (74-88-4) → 2-methyl-1,3-benzothiazole-6-carboxylic acid (6941-28-2)

Guidance literature:

benzothiazole-6-carboxylic acid; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

methyl iodide; In tetrahydrofuran; hexane; at 20 ℃;

upstream raw materials:

2-methylbenzo[d]thiazole-6-carbonitrile

acetic anhydride

4-amino-3-mercaptobenzoic acid hydrochloride

4-amino-3-mercaptobenzoic acid

Downstream raw materials:

2-methyl-benzothiazole-6-carboxylic acid hydrazide

N-benzoyl-N'-(2-methyl-benzothiazole-6-carbonyl)-hydrazine

6-Formyl-2-methyl-benzthiazol

2-methylbenzothiazol-5-yl methyl ketone