5-(4-Bromophenyl)-2-furoic acid

Base Information

• Chemical Name: 5-(4-Bromophenyl)-2-furoic acid
• CAS No.: 52938-96-2
• Molecular Formula: C11H7BrO3
• Molecular Weight: 267.079
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID10353438
• Wikidata: Q82131037
• ChEMBL ID: CHEMBL3920098
• Mol file: 52938-96-2.mol

Synonyms:5-(4-Bromophenyl)-2-furoic acid;52938-96-2;5-(4-bromophenyl)furan-2-carboxylic acid;SR-01000483286;CDS1_003967;CBMicro_017471;DivK1c_005007;5-(p-bromophenyl)pyromucic acid;CHEMBL3920098;DTXSID10353438;BBL023467;CCG-13574;MFCD00194276;STK033546;AKOS000265059;VS-07438;5-(4-Bromophenyl)-2-furoic acid, 98%;BIM-0017499.P001;5-(4-Bromo-phenyl)-furan-2-carboxylic acid;BB 0245434;CS-0248491;EU-0010427;EN300-399830;5-(4-BROMOPHENYL)-2-FUROIC ACID 98;SR-01000483286-1;SR-01000483286-2;Z57727895;3(2H)-Isoquinolinone, 7-chloro-1,4-dihydro-1-thioxo-

Chemical Property of 5-(4-Bromophenyl)-2-furoic acid

Chemical Property:

• Vapor Pressure: 1.23E-07mmHg at 25°C
• Melting Point: 205-209 °C(lit.)
• Refractive Index: 1.611
• Boiling Point: 415.1°C at 760 mmHg
• PKA: 3.00±0.10(Predicted)
• Flash Point: 204.9°C
• PSA: 50.44000
• Density: 1.606g/cm³
• LogP: 3.40730
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 265.95786
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%Min ^*data from raw suppliers

5-(4-Bromophenyl)-2-furoic acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)Br

Technology Process of 5-(4-Bromophenyl)-2-furoic acid

There total 6 articles about 5-(4-Bromophenyl)-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: 93.0%

5-(4-bromophenyl)-2-furancarboxyaldehyde (20005-42-9) → 5-(4-bromophenyl)furan-2-carboxylic acid (52938-96-2)

Guidance literature:

With silver nitrate; sodium hydroxide; In ethanol; water; for 2h; Reflux;

DOI:10.1007/s00044-021-02711-y

Reference yield: 87.0%

methyl 5-(4-bromophenyl)furan-2-carboxylate (52939-02-3) → 5-(4-bromophenyl)furan-2-carboxylic acid (52938-96-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.5h; Reflux;

DOI:10.1134/S1070428009040125

Reference yield: 76.0%

2-furanoic acid (88-14-2) + 4-bromo-aniline (106-40-1) → 5-(4-bromophenyl)furan-2-carboxylic acid (52938-96-2)

Guidance literature:

4-bromo-aniline; With hydrogenchloride; water; sodium nitrite; at 0 - 5 ℃;

2-furanoic acid; With ammonium cerium(IV) nitrate; In water; at 20 ℃; for 7h;

upstream raw materials:

2-furanoic acid

4-bromo-aniline

methyl 5-(4-bromophenyl)furan-2-carboxylate

furfural

Downstream raw materials:

5-(4-bromo-phenyl)-furan-2-carbonyl chloride

6-<5-(4-Bromophenyl)-2-furyl>-3-propyl-1,2,4-triazolo<3,4-b>-1,3,4-thiadiazole

6-<5-(4-Bromophenyl)-2-furyl>-3-phenyl-1,2,4-triazolo<3,4-b>-1,3,4-thiadiazole