Dibenzofuran-4-carboxylic acid

Base Information

• Chemical Name: Dibenzofuran-4-carboxylic acid
• CAS No.: 2786-05-2
• Molecular Formula: C13H8 O3
• Molecular Weight: 212.205
• Hs Code.: 2932999099
• European Community (EC) Number: 877-909-1
• NSC Number: 190611
• DSSTox Substance ID: DTXSID70307275
• Nikkaji Number: J80.566A
• Wikidata: Q82054646
• Mol file: 2786-05-2.mol

Synonyms:Dibenzofuran-4-carboxylic acid;2786-05-2;dibenzo[b,d]furan-4-carboxylic acid;4-Dibenzofurancarboxylic acid;C13H8O3;SCHEMBL783749;DTXSID70307275;BSMAWCXKHJSJIB-UHFFFAOYSA-N;Dibenzo[b]furan-4-carboxylic acid;CS-D0495;BBL003344;MFCD00092335;NSC190611;STK803146;Dibenzofuran-4-carboxylic acid, 97%;AKOS003348857;AB03310;NSC-190611;AS-59708;FT-0634488;F51420;EN300-7416323;J-016901;Z1508916303;8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-6-carboxylic acid;8-OXATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE-6-CARBOXYLIC ACID

Chemical Property of Dibenzofuran-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.26E-08mmHg at 25°C
• Melting Point: 211-215 °C(lit.)
• Boiling Point: 425.7°Cat760mmHg
• PKA: 3.24±0.30(Predicted)
• Flash Point: 211.2°C
• PSA: 50.44000
• Density: 1.387g/cm³
• LogP: 3.28420
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.047344113
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

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

Dibenzofuran-4-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C(=O)O

Technology Process of Dibenzofuran-4-carboxylic acid

There total 3 articles about Dibenzofuran-4-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: 57.0%

carbon dioxide (124-38-9,18923-20-1) + 4-chlorodibenzo[b,d]furan (74992-96-4) → dibenzofuran (132-64-9,214827-48-2) + dibenzofuran-4-carboxylic acid (2786-05-2) + Dibenzofuran-1,4-dicarboxylic acid

Guidance literature:

With tetrabutylammomium bromide; In N,N-dimethyl-formamide; at -5 - 0 ℃; Electrochemical reaction;

DOI:10.1135/cccc20000862

Reference yield:

2-chlorodibenzofuran (51230-49-0) + carbon dioxide (124-38-9,18923-20-1) → dibenzofuran (132-64-9,214827-48-2) + dibenzofuran-4-carboxylic acid (2786-05-2) + Dibenzofuran-1,4-dicarboxylic acid + 2-Chlorodibenzofuran-1,4-dicarboxylic acid

Guidance literature:

With tetrabutylammomium bromide; In N,N-dimethyl-formamide; at -5 - 0 ℃; Further Variations:; different cathode material and charge; Product distribution; Electrochemical reaction;

DOI:10.1135/cccc20000862

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + 3-bromodibenzofuran (26608-06-0) + diethyl ether (60-29-7,927820-24-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → dibenzo[b,d]furan-3-carboxylic acid (29021-91-8) + dibenzofuran-4-carboxylic acid (2786-05-2)

Guidance literature:

anschliessend Behandeln mit festem Kohlendioxid;

DOI:10.1021/ja01875a013

upstream raw materials:

n-butyllithium

3-bromodibenzofuran

diethyl ether

benzene

Downstream raw materials:

4-nitrodibenzo[b,d]furan

N-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide

N-(4-methyl-3-nitrophenyl)dibenzofuran-4-carboxamide

3-nitrodibenzofuran

Refernces