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

Base Information

• Chemical Name: 6-Bromobenzo[d]thiazole-2-carboxylic acid
• CAS No.: 1187928-32-0
• Molecular Formula: C₈H₄BrNO₂S
• Molecular Weight: 258.095
• DSSTox Substance ID: DTXSID40696264
• Wikidata: Q82625791
• Mol file: 1187928-32-0.mol

Synonyms:6-Bromobenzo[d]thiazole-2-carboxylic acid;1187928-32-0;6-BROMO-1,3-BENZOTHIAZOLE-2-CARBOXYLIC ACID;6-BROMO-BENZOTHIAZOLE-2-CARBOXYLIC ACID;6-BROMOBENZOTHIAZOLE-2-CARBOXYLIC ACID;SCHEMBL4137369;DTXSID40696264;MFCD09027533;AKOS016007747;PB18931;6-Bromobenzo[d]thiazole-2-carboxylicacid;AS-30983;CS-0054620;FT-0708712;A892872

Chemical Property of 6-Bromobenzo[d]thiazole-2-carboxylic acid

Chemical Property:

• Boiling Point: 433.0±37.0 °C(Predicted)
• PKA: 2.78±0.30(Predicted)
• Density: 1.912±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.91461
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99%, ^*data from raw suppliers

6-Bromobenzo[d]thiazole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)SC(=N2)C(=O)O

Technology Process of 6-Bromobenzo[d]thiazole-2-carboxylic acid

There total 3 articles about 6-Bromobenzo[d]thiazole-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:

6-bromo-benzothiazole-2-carboxylic acid methyl ester (1187928-41-1) → 6-bromobenzo[d]thiazole-2-carboxylic acid (1187928-32-0)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; methanol; at 20 ℃; for 2h;

Reference yield:

6-bromo-1,3-benzothiazole (53218-26-1) + carbon dioxide (124-38-9,18923-20-1) → 6-bromobenzo[d]thiazole-2-carboxylic acid (1187928-32-0)

Guidance literature:

With C₂₇H₃₇ClCuN₃; potassium tert-butylate; In tetrahydrofuran; at 80 ℃; for 8h; under 760.051 Torr; Inert atmosphere; sealed tube;

DOI:10.1021/ol301760n

Reference yield:

6-bromobenzothiazole-2-carboxylic acid ethyl ester (1188024-51-2) → 6-bromobenzo[d]thiazole-2-carboxylic acid (1187928-32-0)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1016/j.bmcl.2009.09.115

upstream raw materials:

6-bromobenzothiazole-2-carboxylic acid ethyl ester

6-bromo-1,3-benzothiazole

carbon dioxide

6-bromo-benzothiazole-2-carboxylic acid methyl ester

Downstream raw materials:

6-bromo-benzothiazole-2-carboxylic acid methyl ester

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