4-Methoxy-3-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Methoxy-3-(trifluoromethyl)benzaldehyde
• CAS No.: 50823-87-5
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 2912490090
• European Community (EC) Number: 642-607-9
• DSSTox Substance ID: DTXSID00379501
• Wikidata: Q82169345
• Mol file: 50823-87-5.mol

Synonyms:4-Methoxy-3-(trifluoromethyl)benzaldehyde;50823-87-5;Benzaldehyde, 4-methoxy-3-(trifluoromethyl)-;SCHEMBL512997;3-trifluoromethyl-p-anisaldehyde;DTXSID00379501;MFCD01091012;AKOS005257705;4-methoxy-3-trifluoromethylbenzaldehyde;PS-8147;4-Methoxy-3-trifluoromethyl-benzaldehyde;CS-0096777;FT-0639945;EN300-1725384;A828313;4-Methoxy-3-(trifluoromethyl)benzaldehyde, AldrichCPR;Z1124187149

Chemical Property of 4-Methoxy-3-(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.0209mmHg at 25°C
• Melting Point: 38-40 °C
• Refractive Index: 1.475
• Boiling Point: 251.1 °C at 760 mmHg
• Flash Point: 102.6 °C
• PSA: 26.30000
• Density: 1.287 g/cm³
• LogP: 2.52650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxy-3-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-43-52
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=O)C(F)(F)F

Technology Process of 4-Methoxy-3-(trifluoromethyl)benzaldehyde

There total 5 articles about 4-Methoxy-3-(trifluoromethyl)benzaldehyde 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:

hexamethylenetetramine (100-97-0) + 1-methoxy-2-(trifluoromethyl)benzene (395-48-2) → 3-(trifluoromethyl)-4-methoxybenzaldehyde (50823-87-5)

Guidance literature:

In ethyl acetate; trifluoroacetic acid;

Reference yield:

4-hydroxy-3-(trifluoromethyl)benzaldehyde (220227-98-5) → 3-(trifluoromethyl)-4-methoxybenzaldehyde (50823-87-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1002/ejoc.202101022

Reference yield:

C11H12F3NO3 → 3-(trifluoromethyl)-4-methoxybenzaldehyde (50823-87-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h;

DOI:10.1016/j.bmcl.2016.01.068

upstream raw materials:

4-bromo-1-methoxy-2-(trifluoromethyl)benzene

N,N-dimethyl-formamide

hexamethylenetetramine

1-methoxy-2-(trifluoromethyl)benzene

Downstream raw materials:

4-Methoxy-3-trifluoromethylphenylacetaldehyde

1-[4-hydroxy-3-(trifluoromethyl)benzyl]imidazole-2-thione

1-(4-Methoxy-3-trifluoromethyl-benzyl)-1,3-dihydro-imidazole-2-thione

2-(3-trifluoromethyl-4-methoxyphenyl)-3-methoxy-6-methyl-8-(4-pyridinyl)-4H-chromen-4one