BENZOTHIAZOLE-2-CARBOXYLIC ACID

Base Information

• Chemical Name: BENZOTHIAZOLE-2-CARBOXYLIC ACID
• CAS No.: 3622-04-6
• Molecular Formula: C8H5NO2S
• Molecular Weight: 179.199
• Hs Code.: 29342080
• Mol file: 3622-04-6.mol

Synonyms:2-Carboxybenzothiazole;1,3-Benzothiazol-2-carboxylic acid;

Chemical Property of BENZOTHIAZOLE-2-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 2.11E-06mmHg at 25°C
• Melting Point: 148ºC
• Refractive Index: 1.731
• Boiling Point: 378.487 °C at 760 mmHg
• PKA: 2.92±0.30(Predicted)
• Flash Point: 182.703 °C
• PSA: 78.43000
• Density: 1.509 g/cm³
• LogP: 1.99450
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

99%, ^*data from raw suppliers

Benzothiazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xn:Harmful
• Statements: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZOTHIAZOLE-2-CARBOXYLIC ACID

There total 29 articles about BENZOTHIAZOLE-2-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%

benzothiazole-2-carboxylic acid ethyl ester (32137-76-1) → 2-carboxybenzothiazole (3622-04-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 0 - 10 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2018.05.049

Reference yield: 98.0%

1,3-Benzothiazole (95-16-9) + carbon dioxide (124-38-9,18923-20-1) → 2-carboxybenzothiazole (3622-04-6)

Guidance literature:

1,3-Benzothiazole; carbon dioxide; With caesium carbonate; In N,N-dimethyl-formamide; at 125 ℃; for 16h; under 1064.07 Torr;

With hydrogenchloride; water;

DOI:10.1021/ol101450u

Reference yield: 80.3%

benzothiazole-2-carbaldehyde (6639-57-2) → 2-carboxybenzothiazole (3622-04-6)

Guidance literature:

With potassium permanganate; manganese(II) acetate; In acetic acid; at 7 ℃; for 60h; Temperature;

upstream raw materials:

1,3-Benzothiazole

2-Methylbenzothiazole

1,3-benzothiazol-2-ylmethanol

benzothiazole-2-carbonimidic acid amide

Downstream raw materials:

benzothiazole-2-carbonyl chloride

Refernces

• 1、 Zhao, Liyu,Sun, Yin,Yin, Wenbo,Tian, Linfeng,Sun, Nannan,Zheng, Yang,Zhang, Chu,Zhao, Shizhen,Su, Xin,Zhao, Dongmei,Cheng, Maosheng. "Design, synthesis, and biological activity evaluation of 2-(benzo[b]thiophen-2-yl)-4-phenyl-4,5-dihydrooxazole derivatives as broad-spectrum antifungal agents". . . Retrieved 2021/11/22.
• 2、 -. "PRODUCTION METHOD OF BENZOTHIAZOLE DERIVATIVE". Paragraph 0320; 0325. . Retrieved 2020/06/18.