2-Methoxy-6-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Methoxy-6-(trifluoromethyl)benzaldehyde
• CAS No.: 1017778-98-1
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.149
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID301272176
• Mol file: 1017778-98-1.mol

Synonyms:2-METHOXY-6-(TRIFLUOROMETHYL)BENZALDEHYDE;1017778-98-1;SCHEMBL4540699;LLBTYKHVRXDHKF-UHFFFAOYSA-N;DTXSID301272176;MFCD09832324;AKOS015956492;CS-0439947

Chemical Property of 2-Methoxy-6-(trifluoromethyl)benzaldehyde

Chemical Property:

• Water Solubility.: Insoluble in water.
• XLogP3: 2.2
• 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

2-Methoxy-6-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1C=O)C(F)(F)F
• Uses: Used as catalyst in diethylzinc addition to aldehydes.

Technology Process of 2-Methoxy-6-(trifluoromethyl)benzaldehyde

There total 2 articles about 2-Methoxy-6-(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:

methanol (67-56-1) + 2-fluoro-6-(trifluoromethyl)benzaldehyde (60611-24-7) → 2-methoxy-6-(trifluoromethyl)benzaldehyde (1017778-98-1)

Guidance literature:

With potassium hydroxide; at 60 ℃; for 2.5h;

Reference yield:

N-Formylpiperidine (2591-86-8) + 3-(trifluoromethyl)anisole (454-90-0) → 4-methoxy-2-(trifluoromethyl)benzaldehyde (106312-36-1) + 2-methoxy-6-(trifluoromethyl)benzaldehyde (1017778-98-1)

Guidance literature:

With n-butyllithium; bromine; iron; Yield given. Multistep reaction; 1.) CCl₄, -60 deg C, 2 h, 2.) Et₂O, -55 deg C;

DOI:10.1021/jm00396a012

Reference yield: 96.0%

2-(2,4-dimethyl-1H-pyrrol-1-yl)-4-methoxyaniline + 2-methoxy-6-(trifluoromethyl)benzaldehyde (1017778-98-1) → (S)-8-methoxy-4-(2-methoxy-6-(trifluoromethyl)phenyl)-1,3-dimethyl-4,5-dihydropyrrolo[1,2-a]quinoxaline

Guidance literature:

With (R)-3,3'-di(anthracen-9-yl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diyl hydrogen phosphate; In tetrachloromethane; at -10 ℃; for 8h; enantioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03827

upstream raw materials:

N-Formylpiperidine

3-(trifluoromethyl)anisole

methanol

2-fluoro-6-(trifluoromethyl)benzaldehyde