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

Base Information

• Chemical Name: 5-(4-Methylphenyl)-2-furoic acid
• CAS No.: 52938-98-4
• Molecular Formula: C12H10O3
• Molecular Weight: 202.21
• Hs Code.: 2932190090
• European Community (EC) Number: 624-732-0
• DSSTox Substance ID: DTXSID10357597
• Nikkaji Number: J2.321.182C
• Wikidata: Q82137569
• ChEMBL ID: CHEMBL3968454
• Mol file: 52938-98-4.mol

Synonyms:52938-98-4;5-(4-Methylphenyl)-2-furoic acid;5-(p-Tolyl)furan-2-carboxylic acid;5-(4-Methylphenyl)furan-2-carboxylic acid;5-p-Tolylfuran-2-carboxylic acid;2-Furancarboxylic acid, 5-(4-methylphenyl)-;5-(p-tolyl)pyromucic acid;SCHEMBL242273;CHEMBL3968454;DTXSID10357597;CCA93898;MFCD00448781;AKOS002680290;SB61309;AS-47813;5-(4-Methylphenyl)-2-furoic acid, 97%;BB 0222393;CS-0281273;FT-0640119;EN300-336774;F16231;A829318

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

Chemical Property:

• Vapor Pressure: 2.81E-06mmHg at 25°C
• Melting Point: 179-181 °C
• Refractive Index: 1.574
• Boiling Point: 374.6 °C at 760 mmHg
• PKA: 3.21±0.10(Predicted)
• Flash Point: 180.4 °C
• PSA: 50.44000
• Density: 1.215g/cm³
• LogP: 2.95320
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.062994177
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

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

5-(4-Methylphenyl)-2-furoic acid ^*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: CC1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

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

There total 8 articles about 5-(4-Methylphenyl)-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: 90.0%

5-(4-methylphenyl)furan-2-carboxylic acid methyl ester (52939-04-5) → 5-p-tolyl-furan-2-carboxylic acid (52938-98-4)

Guidance literature:

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

Reference yield: 74.0%

5-bromo-furan-2-carboxylic acid (585-70-6) + 4-methylphenylboronic acid (5720-05-8) → 5-p-tolyl-furan-2-carboxylic acid (52938-98-4)

Guidance literature:

5-bromo-furan-2-carboxylic acid; 4-methylphenylboronic acid; palladium diacetate; In water; at 20 ℃; for 0.0833333h;

With potassium hydroxide; In water; at 20 - 75 ℃; for 1.66667h;

DOI:10.1016/j.tetlet.2006.04.039

Reference yield: 20.0%

5-(4-tolyl)-2-furaldehyde (34035-05-7) → 5-p-tolyl-furan-2-carboxylic acid (52938-98-4)

Guidance literature:

With sodium hydroxide; silver nitrate; Ambient temperature;

DOI:10.1002/jps.2600690135

upstream raw materials:

2-furanoic acid

p-toluidine

5-(4-tolyl)-2-furaldehyde

5-bromo-furan-2-carboxylic acid

Downstream raw materials:

2-(4-methylphenyl)furan

5-(4-methylphenyl)furan-2-carboxylic acid methyl ester

5,5’-bis(4-methylphenyl)-2,2’-bifuran

5-[5-(4-tert-butoxycarbonylamino-phenyl)-[1,2,4]oxadiazol-3-yl]-2-[(5-p-tolyl-furan-2-carbonyl)-amino]-indan-2-carboxylic acid

Refernces

• 1、 Chen, Jian-Wei,Cui, Zi-Ning,He, Min,Li, Ya-Sheng,Wang, Hong,Wang, Si-Jia,Wang, Ya-Kun,Wei, Bin,Zhang, Hua-Wei,Zhou, Tao-Shun. "Thiazolidin-2-cyanamides derivatives as novel potent Escherichia coli β-glucuronidase inhibitors and their structure–inhibitory activity relationships". . p. 1736 - 1742. Retrieved 2020/09/18.
• 2、 Jiang, Shan,He, Min,Xiang, Xu-Wen,Adnan, Muhammad,Cui, Zi-Ning. "Novel S-Thiazol-2-yl-furan-2-carbothioate Derivatives as Potential T3SS Inhibitors against Xanthomonas oryzae on Rice". . . Retrieved 2019/11/03.