2-(5-methyl-2-furyl)benzoic Acid

Base Information

Chemical Name:2-(5-methyl-2-furyl)benzoic Acid
CAS No.:159448-55-2
Molecular Formula:C12H10O3
Molecular Weight:202.21
Hs Code.:2916399090
European Community (EC) Number:630-195-3
DSSTox Substance ID:DTXSID60401897
Wikidata:Q82205191
Mol file:159448-55-2.mol

Synonyms:2-(5-methylfuran-2-yl)benzoic acid;159448-55-2;2-(5-methyl-2-furyl)benzoic Acid;Benzoic acid, 2-(5-methyl-2-furanyl)-;Benzoic acid,2-(5-methyl-2-furanyl)-;SCHEMBL8791374;DTXSID60401897;AKOS004117006;BB 0224081

Suppliers and Price of 2-(5-methyl-2-furyl)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(5-METHYLFUR-2-YL)BENZOIC ACID 95.00%
5MG
$ 495.73

Total 6 raw suppliers

Chemical Property of 2-(5-methyl-2-furyl)benzoic Acid

Chemical Property:

Vapor Pressure:0.000187mmHg at 25°C
Refractive Index:1.574
Boiling Point:315.2 °C at 760 mmHg
PKA:3.74±0.36(Predicted)
Flash Point:144.4 °C
PSA：50.44000
Density:1.215 g/cm³
LogP:2.95320
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:202.062994177
Heavy Atom Count:15
Complexity:239

Purity/Quality:

98%min ^*data from raw suppliers

2-(5-METHYLFUR-2-YL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(O1)C2=CC=CC=C2C(=O)O

Technology Process of 2-(5-methyl-2-furyl)benzoic Acid

There total 5 articles about 2-(5-methyl-2-furyl)benzoic 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: 95.0%

: 159448-54-1
2-(o-bromophenyl)-5-methylfuran

: 159448-55-2
2-(5-methylfuran-2-yl)benzoic acid

Guidance literature:: With n-butyllithium; CO₂; In tetrahydrofuran; hexane; water;

Reference yield:

: 6630-33-7
ortho-bromobenzaldehyde

: 159448-55-2
2-(5-methylfuran-2-yl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 93 percent / 5-(2-hydroxyethyl)-4-methyl-3-benzylthiazolium chloride, Et₃N / 4 h / 70 °C

2: 70 percent / 4 Angstroem molecular sieves, p-TsOH*H₂O / benzene / 12 h / Heating

3: n-BuLi / hexane; tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) RT, 3 h

With n-butyllithium; 4 A molecular sieve; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; toluene-4-sulfonic acid; triethylamine; In tetrahydrofuran; hexane; benzene;
DOI:10.1021/jm00049a012

Reference yield:

: 159448-53-0
1-(2-bromo-phenyl)-pentane-1,4-dione

: 159448-55-2
2-(5-methylfuran-2-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / 4 Angstroem molecular sieves, p-TsOH*H₂O / benzene / 12 h / Heating

2: n-BuLi / hexane; tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) RT, 3 h

With n-butyllithium; 4 A molecular sieve; toluene-4-sulfonic acid; In tetrahydrofuran; hexane; benzene;
DOI:10.1021/jm00049a012