5-[2-(Trifluoromethoxy)phenyl]-2-furaldehyde

Base Information

• Chemical Name: 5-[2-(Trifluoromethoxy)phenyl]-2-furaldehyde
• CAS No.: 306936-00-5
• Molecular Formula: C12H7 F3 O3
• Molecular Weight: 256.181
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID40352257
• Wikidata: Q82129299
• ChEMBL ID: CHEMBL1736114
• Mol file: 306936-00-5.mol

Synonyms:306936-00-5;5-[2-(trifluoromethoxy)phenyl]-2-furaldehyde;5-[2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde;2-Furancarboxaldehyde, 5-[2-(trifluoromethoxy)phenyl]-;5-(2-(trifluoromethoxy)phenyl)furan-2-carbaldehyde;CBMicro_046447;MLS000533617;5-(2-Trifluoromethoxy-Phenyl)-Furan-2-Carbaldehyde;SCHEMBL3634969;CHEMBL1736114;REGID_for_CID_721838;DTXSID40352257;HMS2280D10;BBL028487;MFCD00278715;STL378004;AKOS000289008;SB61268;AS-69616;SMR000141055;BIM-0046458.P001;CS-0312603;FT-0619881;W18762

Chemical Property of 5-[2-(Trifluoromethoxy)phenyl]-2-furaldehyde

Chemical Property:

• Vapor Pressure: 0.00344mmHg at 25°C
• Melting Point: 71-73°C
• Refractive Index: 1.513
• Boiling Point: 282°Cat760mmHg
• Flash Point: 124.4°C
• PSA: 39.44000
• Density: 1.351g/cm³
• LogP: 3.65770
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 256.03472857
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

98% ^*data from raw suppliers

5-(2-(Trifluoromethoxy)phenyl)furan-2-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-[2-(Trifluoromethoxy)phenyl]-2-furaldehyde

There total 1 articles about 5-[2-(Trifluoromethoxy)phenyl]-2-furaldehyde 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:

5-bromo-2-furancarboxaldehyde (1899-24-7) + 2-trifluoromethoxyphenylboronic acid (175676-65-0) → 5-(2-(trifluoromethoxy)phenyl)furan-2-carbaldehyde (306936-00-5)

Guidance literature:

With palladium diacetate; tetrabutylammomium bromide; potassium carbonate; In water; at 25 ℃; for 16h;

DOI:10.1016/j.bmcl.2005.03.066

Reference yield: 70.0%

5-(2-(trifluoromethoxy)phenyl)furan-2-carbaldehyde (306936-00-5) + 1-(4-fluoro-phenyl)-propane-1,2-dione (10557-24-1) → 4-(4-fluorophenyl)-5-methyl-2-[5-(2-trifluoromethoxyphenyl)furan-2-yl]-1H-imidazole

Guidance literature:

With sodium acetate; In methanol; at 60 ℃; for 2h;

Reference yield: 70.0%

5-(2-(trifluoromethoxy)phenyl)furan-2-carbaldehyde (306936-00-5) + 1-(4-fluoro-phenyl)-propane-1,2-dione (10557-24-1) → 4-(4-fluorophenyl)-5-methyl-2-[5-(2-trifluoromethoxyphenyl)furan-2-yl]-1H-imidazole

Guidance literature:

With ammonium acetate; In methanol; at 60 ℃; for 2h;

upstream raw materials:

5-bromo-2-furancarboxaldehyde

2-trifluoromethoxyphenylboronic acid

Refernces