5-[2-Chloro-4-(Trifluoromethyl)Phenyl]-2-Furaldehyde

Base Information

• Chemical Name: 5-[2-Chloro-4-(Trifluoromethyl)Phenyl]-2-Furaldehyde
• CAS No.: 306936-04-9
• Molecular Formula: C₁₂H₆ClF₃O₂
• Molecular Weight: 274.627
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID10381857
• Wikidata: Q82172988
• ChEMBL ID: CHEMBL4458785
• Mol file: 306936-04-9.mol

Synonyms:306936-04-9;5-[2-Chloro-4-(Trifluoromethyl)Phenyl]-2-Furaldehyde;5-(2-Chloro-4-(trifluoromethyl)phenyl)furan-2-carbaldehyde;5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde;2-Furancarboxaldehyde, 5-[2-chloro-4-(trifluoromethyl)phenyl]-;SCHEMBL5662153;CHEMBL4458785;DTXSID10381857;MFCD01571128;AKOS009157941;SB61213;AS-71479;CS-0327991;FT-0619882;E74242;5-[2-chloro-4-(trifluoromethyl)phenyl]-2-furaldehyde, AldrichCPR

Chemical Property of 5-[2-Chloro-4-(Trifluoromethyl)Phenyl]-2-Furaldehyde

Chemical Property:

• Vapor Pressure: 0.000569mmHg at 25°C
• Melting Point: 86 °C
• Refractive Index: 1.526
• Boiling Point: 311.3°Cat760mmHg
• Flash Point: 142.1°C
• PSA: 30.21000
• Density: 1.41g/cm³
• LogP: 4.43130
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.0008416
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

98%min ^*data from raw suppliers

5-[2-Chloro-4-(trifluoromethyl)phenyl]-2-furaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: T
• Statements: 36/37/38-43-25
• Safety Statements: 26-36/37/39-45-36/37-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O

Technology Process of 5-[2-Chloro-4-(Trifluoromethyl)Phenyl]-2-Furaldehyde

There total 2 articles about 5-[2-Chloro-4-(Trifluoromethyl)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-formylfurane-2-boronic acid (27329-70-0) + 6-bromo-1-chloro-3-(trifluoromethyl)benzene (402-04-0) → 5-(2-chloro-4-(trifluoromethyl)phenyl)furan-2-carbaldehyde (306936-04-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; at 100 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c2ob26081f

Reference yield:

5-iodofuran-2-carbaldehyde (2689-65-8) + 2-chloro-1-iodo-4-(trifluoromethyl)benzene (141738-80-9) → 5-(2-chloro-4-(trifluoromethyl)phenyl)furan-2-carbaldehyde (306936-04-9)

Guidance literature:

2-chloro-1-iodo-4-(trifluoromethyl)benzene; With indium(III) chloride; chloro-trimethyl-silane; lithium chloride; zinc; In tetrahydrofuran; at 25 ℃; for 0.25h; Inert atmosphere; Schlenk technique; Sealed tube;

5-iodofuran-2-carbaldehyde; With 2-dicyclohexylphosphino-2’,6’-dimethoxybiphenyl; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/chem.201605139

Reference yield:

5-(2-chloro-4-(trifluoromethyl)phenyl)furan-2-carbaldehyde (306936-04-9) + inden-1-one (83-33-0) → 2-[5-(2-chloro-5-trifluoromethyl)-furan-2-ylmethylene]indan-1-one (1400563-92-9)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1039/c2ob26081f

upstream raw materials:

5-formylfurane-2-boronic acid

6-bromo-1-chloro-3-(trifluoromethyl)benzene

5-iodofuran-2-carbaldehyde

2-chloro-1-iodo-4-(trifluoromethyl)benzene

Downstream raw materials:

2-[5-(2-chloro-5-trifluoromethyl)-furan-2-ylmethylene]indan-1-one