5-(4-Methoxyphenyl)furan-2-carboxylic acid

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)furan-2-carboxylic acid
• CAS No.: 52938-99-5
• Molecular Formula: C12H10O4
• Molecular Weight: 218.209
• Hs Code.: 2932190090
• European Community (EC) Number: 624-733-6
• DSSTox Substance ID: DTXSID00357622
• Nikkaji Number: J2.207.320F
• Wikidata: Q82137607
• Mol file: 52938-99-5.mol

Synonyms:52938-99-5;5-(4-Methoxyphenyl)-2-furoic acid;5-(4-methoxyphenyl)furan-2-carboxylic acid;5-(4-METHOXY-PHENYL)-FURAN-2-CARBOXYLIC ACID;4-(5-Carboxyfur-2-yl)anisole;SCHEMBL4896906;DTXSID00357622;MFCD03937477;STK069395;AKOS000314406;AB16871;TS-03123;5-(4-methoxyphenyl)-2-furancarboxylic acid;5-(4-Methoxyphenyl)-2-furoic acid, 97%;BB 0222395;CS-0204580;FT-0640120;A829319

Chemical Property of 5-(4-Methoxyphenyl)furan-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.64E-07mmHg at 25°C
• Melting Point: 182-186 °C
• Refractive Index: 1.565
• Boiling Point: 401.5 °C at 760 mmHg
• PKA: 3.28±0.10(Predicted)
• Flash Point: 196.6 °C
• PSA: 59.67000
• Density: 1.253g/cm³
• LogP: 2.65340
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Methoxyphenyl)-2-furoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

Technology Process of 5-(4-Methoxyphenyl)furan-2-carboxylic acid

There total 9 articles about 5-(4-Methoxyphenyl)furan-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: 100.0%

5-((4-methoxy)phenyl)furan-2-carboxylic acid methyl ester (52939-05-6) → 5-((4-methoxy)phenyl)furan-2-carboxylic acid (52938-99-5)

Guidance literature:

With methanol; sodium hydroxide; for 3h; Reflux;

Reference yield: 96.0%

5-bromo-furan-2-carboxylic acid (585-70-6) + 4-methoxyphenylboronic acid (5720-07-0) → 5-((4-methoxy)phenyl)furan-2-carboxylic acid (52938-99-5)

Guidance literature:

With ethylenediaminetetraacetic acid; potassium carbonate; palladium dichloride; at 100 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.06.085

Reference yield: 51.6%

2-furanoic acid (88-14-2) + 4-methoxy-aniline (104-94-9) → 5-((4-methoxy)phenyl)furan-2-carboxylic acid (52938-99-5)

Guidance literature:

4-methoxy-aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 0.25h;

2-furanoic acid; With copper(II) choride dihydrate; In water; acetone; at 0 - 20 ℃; for 22h;

upstream raw materials:

2-furanoic acid

para-methoxyphenyldiazonium chloride

5-(4-methoxyphenyl)furan-2-carbaldehyde

5-bromo-furan-2-carboxylic acid

Downstream raw materials:

5-(4-trifluoromethylphenyl)-2-(4-tolyl)furan

Refernces

• 1、 -. "Furoylamino beta-carboline compound as well as preparation method and application thereof". Paragraph 0036-0039. . Retrieved 2021/04/26.
• 2、 -. "2-furoylamide compound and preparation and application thereof". Paragraph 0036; 0038-0040; 0048. . Retrieved 2020/08/22.