2-Methoxy-4-(trifluoromethyl)benzoic acid

Base Information

• Chemical Name: 2-Methoxy-4-(trifluoromethyl)benzoic acid
• CAS No.: 448-36-2
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.148
• Hs Code.: 2918990090
• European Community (EC) Number: 825-368-7
• DSSTox Substance ID: DTXSID00395100
• Wikidata: Q82194925
• Mol file: 448-36-2.mol

Synonyms:2-methoxy-4-(trifluoromethyl)benzoic acid;448-36-2;MFCD04115976;BENZOIC ACID, 2-METHOXY-4-(TRIFLUOROMETHYL)-;2-Methoxy-4-trifluoromethyl-benzoic acid;SCHEMBL422034;DTXSID00395100;STK664783;AKOS003389117;AB20647;PS-6631;2-methoxy-4-(trifluoromethyl)benzoicacid;SY105145;2-methoxy-4-(trifluoromethyl) benzoic acid;4-(trifluoromethyl)-2-methoxy-benzoic acid;CS-0094403;D75549;EN300-111849;A846860;Z1436232748

Chemical Property of 2-Methoxy-4-(trifluoromethyl)benzoic acid

Chemical Property:

• Melting Point: 125-130℃
• PSA: 46.53000
• LogP: 2.41220
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 220.03472857
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-4-(trifluoromethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(F)(F)F)C(=O)O
• Uses: 2-Methoxy-4-(trifluoromethyl)benzoic acid is used as a synthetic building block.

Technology Process of 2-Methoxy-4-(trifluoromethyl)benzoic acid

There total 10 articles about 2-Methoxy-4-(trifluoromethyl)benzoic acid 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:

sodium dihydrogenphosphate (10049-21-5) + 2-methoxy-4-(trifluoromethyl)benzaldehyde (132927-09-4) → 2-methoxy-4-(trifluoromethyl)-benzoic acid (448-36-2)

Guidance literature:

With sodium; In water; dimethyl sulfoxide;

Reference yield:

methyl 2-methoxy-4-(trifluoromethyl)benzoate (286441-66-5) → 2-methoxy-4-(trifluoromethyl)-benzoic acid (448-36-2)

Guidance literature:

With sodium hydroxide; In methanol; at 80 ℃; for 3h;

DOI:10.1021/jm060683e

Reference yield:

3-Trifluoromethylphenol (98-17-9) → 2-methoxy-4-(trifluoromethyl)-benzoic acid (448-36-2)

Guidance literature:

Multi-step reaction with 5 steps

1: K₂CO₃; acetone

2: CO₂

3: Raney nickel; ethanol / Hydrogenation

4: aqueous methanol. KOH

5: KMnO₄; aqueous KOH

With potassium hydroxide; potassium permanganate; ethanol; carbon dioxide; nickel; potassium carbonate; acetone;

DOI:10.1021/ja01149a530

upstream raw materials:

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

2-propyl-5-trifluoromethyl-anisole

2-allyl-5-trifluoromethyl-anisole

methyl 2-methoxy-4-(trifluoromethyl)benzoate

Downstream raw materials:

methyl 1-(2-(2-methoxy-4-(trifluoromethyl)benzamido)ethyl)-1H-imidazole-4-carboxylate

5-[2-(2-methoxy-4-trifluoromethyl-benzoylamino)-ethyl]-2H-[1,2,4]triazole-3-carboxylic acid [cyano-(4-ethyl-phenyl)-methyl]-amide

1-[3-(2-methoxy-4-trifluoromethyl-benzoylamino)-propyl]-1H-[1,2,3]triazole-4-carboxylic acid methyl ester

1-[2-(2-methoxy-4-trifluoromethylbenzoylamino)ethyl]-1H-[1,2,3]triazole-4-carboxylic acid methyl ester

Refernces

• 1、 -. "CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME". . . Retrieved 2008/06/13.