5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde

Base Information

• Chemical Name: 5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde
• CAS No.: 94098-56-3
• Molecular Formula: C12H7 F3 O2
• Molecular Weight: 240.182
• Hs Code.: 2932190090
• European Community (EC) Number: 623-061-0
• DSSTox Substance ID: DTXSID00350855
• Wikidata: Q82126949
• ChEMBL ID: CHEMBL4557085
• Mol file: 94098-56-3.mol

Synonyms:94098-56-3;5-[2-(trifluoromethyl)phenyl]furan-2-carbaldehyde;5-[2-(Trifluoromethyl)phenyl]furfural;5-[2-(trifluoromethyl)phenyl]-2-furaldehyde;5-(2-(trifluoromethyl)phenyl)furan-2-carbaldehyde;5-(2-TRIFLUOROMETHYL-PHENYL)-FURAN-2-CARBALDEHYDE;SCHEMBL2158430;CHEMBL4557085;DTXSID00350855;5-(2-trifluoromethylphenyl)furfural;AMY33186;BBL023753;MFCD00274240;STL290875;AKOS000108254;VS-07504;BB 0223920;CS-0319012;FT-0642260;5-[2-(Trifluoromethyl)phenyl]furfural, 97%;5-(2-trifluoromethylphenyl)furan-2-carbaldehyde;5-(2-trifluoromethylphenyl)furan-2-carbalde-hyde;AE-641/11517233;5-(2-(Trifluoromethyl)phenyl)-2-furancarboxaldehyde;5-(2-Trifluoromethyl-phenyl)-furan-2-carbalde hyde;5-[2-(Trifluoromethyl)phenyl-2-furancarboxaldehyde;2-(2-bromophenyl)-5-tert-butyl-2h-pyrazol-3-ylamine;2-Furancarboxaldehyde,5-[2-(trifluoromethyl)phenyl]-

Chemical Property of 5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.000153mmHg at 25°C
• Melting Point: 41-44 °C(lit.)
• Boiling Point: 331.7°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 30.21000
• Density: 1.314g/cm³
• LogP: 3.77790
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 240.03981395
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

5-[2-(Trifluoromethyl)phenyl]furfural 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde

There total 3 articles about 5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde 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: 69.0%

furfural (98-01-1) + o-trifluoromethylphenyl bromide (392-83-6) → 5-(2-Trifluoromethyl-phenyl)-furan-2-carbaldehyde (94098-56-3)

Guidance literature:

With potassium acetate; palladium diacetate; In N,N-dimethyl acetamide; at 150 ℃; for 20h; Inert atmosphere;

DOI:10.1039/b915290n

Reference yield: 42.0%

furfural (98-01-1) + o-trifluoromethylbenzene diazonium chloride (54514-11-3) → 5-(2-Trifluoromethyl-phenyl)-furan-2-carbaldehyde (94098-56-3)

Guidance literature:

With copper(II) choride dihydrate; In acetone; at 0 - 30 ℃;

DOI:10.1134/S107042801406013X

Reference yield:

5-bromo-2-furancarboxaldehyde (1899-24-7) + 2-(trifluoromethyl)phenylboronic acid (1423-27-4) → 5-(2-Trifluoromethyl-phenyl)-furan-2-carbaldehyde (94098-56-3)

Guidance literature:

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

DOI:10.1016/j.bmcl.2005.03.066

upstream raw materials:

5-bromo-2-furancarboxaldehyde

2-(trifluoromethyl)phenylboronic acid

furfural

o-trifluoromethylphenyl bromide

Downstream raw materials:

2-((5-(2-(trifluoromethyl)phenyl)furan-2-yl)methylene)hydrazinecarboximidamide hydrochloride

9,9-dimethyl-12-[5-(2-trifluoromethylphenyl)-furan-2-yl]-7,8,9,10-tetrahydrobenzo[a]acridin-11(12H)-one

(E)-N-[5-(2-trifluoromethylphenyl)furan-2-ylmethylidene]naphthalen-2-amine

2-((5-(2-(trifluoromethyl)phenyl)furan-2-yl)methylene)hydrazinecarboximidamide