5-Bromothiazole-4-carboxylic acid

Base Information

• Chemical Name: 5-Bromothiazole-4-carboxylic acid
• CAS No.: 103878-58-6
• Molecular Formula: C4H2BrNO2S
• Molecular Weight: 208.035
• Hs Code.: 2934100090
• Mol file: 103878-58-6.mol

Synonyms:5-Bromothiazole-4-carboxylicacid;

Chemical Property of 5-Bromothiazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.663
• Boiling Point: 367.673 °C at 760 mmHg
• PKA: 2.17±0.10(Predicted)
• Flash Point: 176.163 °C
• PSA: 78.43000
• Density: 2.063 g/cm³
• LogP: 1.60380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromothiazole-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Bromothiazole-4-carboxylic acid

There total 3 articles about 5-Bromothiazole-4-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: 85.88%

ethyl 5‐bromo‐1,3‐thiazole‐4‐carboxylate (61830-23-7) → 5-bromo-1,3-thiazole-4-carboxylic acid (103878-58-6)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 1h;

Reference yield: 84.5%

5-bromothiazole-4-carboxylic acid methyl ester (913836-22-3) → 5-bromo-1,3-thiazole-4-carboxylic acid (103878-58-6)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; at 25 ℃; for 2h;

Reference yield:

2-amino-5-bromthiazol-4-carbonic acid ethyl ester (61830-21-5) → 5-bromo-1,3-thiazole-4-carboxylic acid (103878-58-6)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. H₂SO₄, (ii) aq. H₃PO₂, (iii) aq. HCl;

DOI:10.1021/jm00214a023

upstream raw materials:

2-amino-5-bromthiazol-4-carbonic acid ethyl ester

ethyl 5‐bromo‐1,3‐thiazole‐4‐carboxylate

5-bromothiazole-4-carboxylic acid methyl ester

Downstream raw materials:

5-bromothiazole-4-carboxylic acid methyl ester

5‐bromo‐1,3‐thiazole‐4‐carboxamide

C₁₂H₁₁BrN₂O₂S

Refernces

• 1、 -. "PAPD5 INHIBITORS AND METHODS OF USE THEREOF". Page/Page column 103. . Retrieved 2020/11/03.
• 2、 -. "ANTIBACTERIAL COMPOUNDS". Page/Page column 152; 153. . Retrieved 2015/11/17.