6-Bromochromone-2-carboxylic acid

Base Information

• Chemical Name: 6-Bromochromone-2-carboxylic acid
• CAS No.: 51484-06-1
• Molecular Formula: C10H5BrO4
• Molecular Weight: 269.05
• Hs Code.: 2918300090
• European Community (EC) Number: 627-382-7
• Metabolomics Workbench ID: 73897
• Mol file: 51484-06-1.mol

Synonyms:6-Bromochromone-2-carboxylic acid;51484-06-1;6-bromo-4-oxo-4h-chromene-2-carboxylic acid;6-bromo-4-oxochromene-2-carboxylic acid;MFCD01242619;TimTec1_006480;6-bromo-4-oxo-4H-chromene-2-carboxylicacid;SCHEMBL2769879;QSBZDBNPXSVVHH-UHFFFAOYSA-N;HMS1552G12;6-brornochrornone-2-carboxylic acid;BBL029214;STK604079;ZB1051;AKOS000274359;AM81009;FS-4131;MB01738;6-Bromochromone-2-carboxylic acid, 97%;B4802;CS-0181852;FT-0639999;methyl 6-bromo-4-oxo-chromene-2-carboxylate;VU0609721-1;EN300-252157;A828621;F3308-1191;Z1509638526;6-BROMO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID

Chemical Property of 6-Bromochromone-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.84E-07mmHg at 25°C
• Melting Point: ~265 °C (dec.)(lit.)
• Refractive Index: 1.669
• Boiling Point: 397.8°Cat760mmHg
• PKA: 2.03±0.20(Predicted)
• Flash Point: 194.4°C
• PSA: 67.51000
• Density: 1.874g/cm³
• LogP: 2.25370
• Solubility.: soluble in Dimethylformamide
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 267.93712
• Heavy Atom Count: 15
• Complexity: 336

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Bromochromone-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=O)C=C(O2)C(=O)O

Technology Process of 6-Bromochromone-2-carboxylic acid

There total 1 articles about 6-Bromochromone-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: 87.0%

5-Bromo-2-hydroxyacetophenone (1450-75-5) + oxalic acid diethyl ester (95-92-1) → 6-bromo-4-oxo-4H-chromene-2-carboxylic acid (51484-06-1)

Guidance literature:

5-Bromo-2-hydroxyacetophenone; oxalic acid diethyl ester; With sodium methylate; In 1,4-dioxane; methanol; at 120 ℃; for 0.333333h; Microwave irradiation;

With hydrogenchloride; In 1,4-dioxane; methanol; at 120 ℃; for 0.666667h; Reagent/catalyst; Solvent; Temperature; Microwave irradiation;

DOI:10.3390/molecules24234214

Reference yield: 85.0%

6-bromo-4-oxo-4H-chromene-2-carboxylic acid (51484-06-1) + ethanol (64-17-5) → ethyl 6-bromo-4-oxo-4H-1-benzopyran-2-carboxylate (33513-40-5)

Guidance literature:

With diphenylammonium trifluoromethanesulfonate; In toluene; at 80 ℃; for 4h;

DOI:10.1002/ejoc.201701457

Reference yield: 45.0%

6-bromo-4-oxo-4H-chromene-2-carboxylic acid (51484-06-1) + phenylboronic acid (98-80-6) → 6-bromoflavone (1218-80-0)

Guidance literature:

With dipotassium peroxodisulfate; In water; 1,2-dichloro-ethane; at 100 ℃; for 2h; regioselective reaction; Sealed tube; Green chemistry;

DOI:10.1039/c7cc02107k

upstream raw materials:

5-Bromo-2-hydroxyacetophenone

oxalic acid diethyl ester

Downstream raw materials:

6-phenylchromone carboxylic acid

6-bromo-4-oxo-4H-chromene-2-carboxylic acid amide

6-bromoflavone

6,4'-Dibromoflavone