5-(3-cyanophenyl)furan-2-carboxylic Acid

Base Information

Chemical Name:5-(3-cyanophenyl)furan-2-carboxylic Acid
CAS No.:253679-32-2
Molecular Formula:C12H7 N O3
Molecular Weight:213.192
Hs Code.:
DSSTox Substance ID:DTXSID70400553
Wikidata:Q82203561
ChEMBL ID:CHEMBL4648479
Mol file:253679-32-2.mol

Synonyms:5-(3-cyanophenyl)furan-2-carboxylic Acid;253679-32-2;5-(3-Cyanophenyl)-2-furoic acid;2-Furancarboxylic acid,5-(3-cyanophenyl)-;SCHEMBL3739232;CHEMBL4648479;DTXSID70400553;AKOS004117335;5-(3-cyanophenyl)furane-2-carboxylic acid;BB 0223020;M83

Suppliers and Price of 5-(3-cyanophenyl)furan-2-carboxylic 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

Total 3 raw suppliers

Chemical Property of 5-(3-cyanophenyl)furan-2-carboxylic Acid

Chemical Property:

PSA：74.23000
LogP:2.51648
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:213.042593085
Heavy Atom Count:16
Complexity:320

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C2=CC=C(O2)C(=O)O)C#N

Technology Process of 5-(3-cyanophenyl)furan-2-carboxylic Acid

There total 4 articles about 5-(3-cyanophenyl)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: 87.0%

: methyl 5-(3-cyanophenyl)furan-2-carboxylate

: 253679-32-2
5-(3-cyanophenyl)furan-2-carboxylic acid

Guidance literature:: With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 2h;
DOI:10.1021/acs.jmedchem.0c00373

Reference yield:

: 2527-99-3
methyl 5-bromo-2-furoate

: 253679-32-2
5-(3-cyanophenyl)furan-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Na₂CO₃ / Pd(PPh₃)4 / 1,2-dimethoxy-ethane / 100 °C

2: aq. LiOH / tetrahydrofuran

With lithium hydroxide; sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,2-dimethoxyethane; 1: Suzuki coupling;
DOI:10.1016/j.bmcl.2007.04.022

Reference yield:

: 150255-96-2
(3‐cyanophenyl)boronic acid

: 253679-32-2
5-(3-cyanophenyl)furan-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: Na₂CO₃ / Pd(PPh₃)4 / 1,2-dimethoxy-ethane / 100 °C

2: aq. LiOH / tetrahydrofuran

With lithium hydroxide; sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; 1,2-dimethoxyethane; 1: Suzuki coupling;
DOI:10.1016/j.bmcl.2007.04.022