5-[3-(Trifluoromethoxy)phenyl]furan-2-carbaldehyde

Base Information

• Chemical Name: 5-[3-(Trifluoromethoxy)phenyl]furan-2-carbaldehyde
• CAS No.: 306935-96-6
• Molecular Formula: C₁₂H₇F₃O₃
• Molecular Weight: 256.181
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID00353184
• Wikidata: Q82130650
• Mol file: 306935-96-6.mol

Synonyms:306935-96-6;5-[3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde;5-[3-(Trifluoromethoxy)phenyl]-2-furaldehyde;5-(3-(Trifluoromethoxy)phenyl)furan-2-carbaldehyde;2-Furancarboxaldehyde, 5-[3-(trifluoromethoxy)phenyl]-;CBMicro_046486;5-[3-(trifluoromethoxy)phenyl]-2-furancarboxaldehyde;SCHEMBL3639725;DTXSID00353184;BBL029622;MFCD02216447;STL382045;AKOS025121906;VS-09326;BIM-0046489.P001;CS-0350072;FT-0619887;EN300-141562;A820534;5-[3-TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE;A1-45564;5-[3-(trifluoromethyloxy)phenyl]furan-2-carbaldehyde

Chemical Property of 5-[3-(Trifluoromethoxy)phenyl]furan-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.000627mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 309.8°Cat760mmHg
• Flash Point: 141.1°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:

97% ^*data from raw suppliers

5-[3-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE 95.00% ^*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(=CC(=C1)OC(F)(F)F)C2=CC=C(O2)C=O

Technology Process of 5-[3-(Trifluoromethoxy)phenyl]furan-2-carbaldehyde

There total 1 articles about 5-[3-(Trifluoromethoxy)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:

5-bromo-2-furancarboxaldehyde (1899-24-7) + (3-(trifluoromethoxy)phenyl)boronic acid (179113-90-7) → 5-(3-trifluoromethoxy-phenyl)-furan-2-carbaldehyde (306935-96-6)

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:

5-(3-trifluoromethoxy-phenyl)-furan-2-carbaldehyde (306935-96-6) + Methyl 2-(N-Benzoylamino)-2-(dimethoxyphosphinyl)ethanoate (120341-28-8) → (Z)-2-Benzoylamino-3-[5-(3-trifluoromethoxy-phenyl)-furan-2-yl]-acrylic acid methyl ester

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 25 ℃; for 2h;

DOI:10.1016/j.bmcl.2005.03.066

Reference yield:

5-(3-trifluoromethoxy-phenyl)-furan-2-carbaldehyde (306935-96-6) → (Z)-2-Benzoylamino-3-[5-(3-trifluoromethoxy-phenyl)-furan-2-yl]-acrylic acid

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / CH₂Cl₂ / 2 h / 25 °C

2: aq. LiOH / dioxane / 2 h / 25 °C

With lithium hydroxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2005.03.066

upstream raw materials:

5-bromo-2-furancarboxaldehyde

(3-(trifluoromethoxy)phenyl)boronic acid