2,4-Dibromothiazole-5-carboxylic acid

Base Information

• Chemical Name: 2,4-Dibromothiazole-5-carboxylic acid
• CAS No.: 139669-96-8
• Molecular Formula: C4HBr2NO2S
• Molecular Weight: 286.93
• Hs Code.: 2934100090
• European Community (EC) Number: 969-940-5
• DSSTox Substance ID: DTXSID50568968
• Nikkaji Number: J449.917D
• Wikidata: Q72465115
• Mol file: 139669-96-8.mol

Synonyms:2,4-dibromothiazole-5-carboxylic acid;139669-96-8;5-Thiazolecarboxylic acid, 2,4-dibromo-;2,4-dibromo-5-thiazolecarboxylic acid;2,4-dibromo-1,3-thiazole-5-carboxylic acid;dibromo-1,3-thiazole-5-carboxylic acid;C4HBr2NO2S;MFCD09909678;SCHEMBL625723;DTXSID50568968;VHMOYJYPQAAQJZ-UHFFFAOYSA-N;AKOS015835053;DS-0323;2,4-dibromo-5-thiazole carboxylic acid;2,4-Dibromo-thiazole-5-carboxylic acid;5-Thiazolecarboxylic acid,2,4-dibromo-;AM803197;SY110902;CS-0036234;2 pound not4-Dibromothiazole-5-carboxylic acid;EN300-262411;A807576;2,4-bis(bromanyl)-1,3-thiazole-5-carboxylic acid

Chemical Property of 2,4-Dibromothiazole-5-carboxylic acid

Chemical Property:

• Refractive Index: 1.696
• Boiling Point: 387.148 °C at 760 mmHg
• PKA: 1.17±0.10(Predicted)
• Flash Point: 187.941 °C
• PSA: 78.43000
• Density: 2.452 g/cm³
• LogP: 2.36630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 286.80743
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

96% ^*data from raw suppliers

2,4-Dibromo-5-thiazolecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(N=C(S1)Br)Br)C(=O)O

Technology Process of 2,4-Dibromothiazole-5-carboxylic acid

There total 2 articles about 2,4-Dibromothiazole-5-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: 94.0%

2,4-dibromo-1,3-thiazole-5-carbaldehyde (139669-95-7) → 2,4-dibromo-1,3-thiazole-5-carboxylic acid (139669-96-8)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 25 ℃; for 0.25h;

DOI:10.1039/b612235c

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 2,4-dibromo-1,3-thiazole (4175-77-3) → 2,4-dibromo-1,3-thiazole-5-carboxylic acid (139669-96-8)

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction; 1) THF, hexane, -78 deg C, 30 min, 2) THF;

Reference yield: 87.0%

methanol (67-56-1) + 2,4-dibromo-1,3-thiazole-5-carboxylic acid (139669-96-8) → methyl 2,4-dibromothiazole-5-carboxylate (918164-43-9)

Guidance literature:

With sulfuric acid; at 80 ℃; for 4h;

DOI:10.1039/b612235c

upstream raw materials:

carbon dioxide

2,4-dibromo-1,3-thiazole

2,4-dibromo-1,3-thiazole-5-carbaldehyde

Downstream raw materials:

methyl 2,4-dibromothiazole-5-carboxylate

Refernces

• 1、 Pereira, Raquel,Furst, Audrey,Iglesias, Beatriz,Germain, Pierre,Gronemeyer, Hinrich,De Lera, Angel R.. "Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/ dibromothiazoles and arylboronic acids. Synthesis of PPARβ/δ agonists". . p. 4514 - 4525. Retrieved 2008/09/19.