4,5-Dibromo-2-furoic acid

Base Information

• Chemical Name: 4,5-Dibromo-2-furoic acid
• CAS No.: 2434-03-9
• Molecular Formula: C5H2 Br2 O3
• Molecular Weight: 269.877
• Hs Code.: 2932190090
• European Community (EC) Number: 628-515-1
• DSSTox Substance ID: DTXSID60400663
• Nikkaji Number: J80.485A
• Wikidata: Q72464402
• Mol file: 2434-03-9.mol

Synonyms:4,5-Dibromo-2-furoic acid;2434-03-9;4,5-dibromofuran-2-carboxylic Acid;2,3-Dibromofuran-5-carboxylic acid;4,5-Dibromo-2-furancarboxylic acid;2-Furancarboxylic acid, 4,5-dibromo-;SCHEMBL274316;LCZC2596;DTXSID60400663;BHUVICYZDBUMIU-UHFFFAOYSA-N;4,5-DIBROMO-2-FUROICACID;4,5-dibromofuran-2-carboxylicAcid;4,5-Dibromo-2-furoic acid, 97%;MFCD00092311;4,5-dibromo-furan-2-carboxylic acid;AKOS005264334;CS-W022045;DS-1632;SB60870;AC-23033;AMY202100057;FT-0634276;EN300-134731;A817237;J-015454

Chemical Property of 4,5-Dibromo-2-furoic acid

Chemical Property:

• Vapor Pressure: 7.53E-05mmHg at 25°C
• Melting Point: 169-173 °C
• Boiling Point: 328.7°Cat760mmHg
• PKA: 2.58±0.16(Predicted)
• Flash Point: 152.6°C
• PSA: 50.44000
• Density: 2.304g/cm³
• LogP: 2.50280
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 269.83502
• Heavy Atom Count: 10
• Complexity: 150

Purity/Quality:

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

4,5-Dibromofuran-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1Br)Br)C(=O)O
• Uses: 2,3-Dibromofuran-5-carboxylic acid is used in a study of the effect of a furanyl halo-substituent on the intramolecular Diels-Alder reaction between the furan ring system and a pendant allylamide. The yield of the cycloaddition is improved with a C-5 bromide vs -chloro or -unsubstituted furan. Used in a study of the effect of a furanyl halo-substituent on the intramolecular Diels-Alder reaction between the furan ring system and a pendant allylamide. The yield of the cycloaddition is improved with a C-5 bromide vs -chloro or -unsubstituted furan.

Technology Process of 4,5-Dibromo-2-furoic acid

There total 6 articles about 4,5-Dibromo-2-furoic 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: 99.0%

methyl 4,5-dibromofuran-2-carboxylate (54113-41-6) → 4,5-dibromo-2-furoic acid (2434-03-9)

Guidance literature:

methyl 4,5-dibromofuran-2-carboxylate; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 4h;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃;

Reference yield: 20.2%

2-furanoic acid (88-14-2) → 4,5-dibromo-2-furoic acid (2434-03-9)

Guidance literature:

With bromine; at 100 - 110 ℃; for 24h;

DOI:10.3987/COM-93-6570

Reference yield:

4,5-dibromo-2-furancarboxaldehyde (2433-85-4) → 4,5-dibromo-2-furoic acid (2434-03-9)

Guidance literature:

With water; silver nitrate; at 20 ℃; for 4h;

DOI:10.3390/molecules16064897

upstream raw materials:

2-furoic acid methyl ester

2-furanoic acid

methyl 4,5-dibromofuran-2-carboxylate

furfural

Downstream raw materials:

(4,5-dibromofuran-2-yl)(3,4-dihydroxyphenyl)methanone

(4,5-dibromofuran-2-yl)(3-hydroxy-4-methoxyphenyl)methanone

N-((1S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-4-(1-methyl-1H-pyrazol-5-yl)-2-furancarboxamide

N-((1S)-2-amino-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-4-(1-methyl-1H-pyrazol-5-yl)-2-furancarboxamide

Refernces

• 1、 Karminski-Zamola, Grace,Dogan, Jasna,Bajic, Miroslav,Blazevic, Jelena,Malesevic, Miroslav. "SYNTHESIS OF SOME FURYL- AND THIENYLACRYLATES OR DIACRYLATES AND ACRYLIC ACIDS BY THE PALLADIUM CATALYSED VINYLATION OF SUBSTITUTED BROMOFURANS AND BROMOTHIOPHENES". . p. 759 - 768. Retrieved 1994.
• 2、 -. "OXO-DIHYDROISOINDOLE SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR". Page/Page column 18. . Retrieved 2008/12/04.
• 3、 Bach, Thorsten,Krüger, Lars. "The preparation of 2,3,5-tri- and 2,3-disubstituted furans by regioselective palladium(0)-catalyzed coupling reactions: Application to the syntheses of rosefuran and the F5 furan fatty acid". . p. 2045 - 2057. Retrieved 2007/10/03.