4-methoxy-2-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 4-methoxy-2-(trifluoromethyl)benzoic Acid
• CAS No.: 127817-85-0
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.148
• Hs Code.: 2918990090
• European Community (EC) Number: 630-215-0
• DSSTox Substance ID: DTXSID80379504
• Wikidata: Q72486285
• Mol file: 127817-85-0.mol

Synonyms:4-methoxy-2-(trifluoromethyl)benzoic Acid;127817-85-0;Benzoic acid, 4-methoxy-2-(trifluoromethyl)-;4-Methoxy-2-trifluormethylbenzoic acid;MFCD01091013;4-methoxy-2-trifluoromethylbenzoic acid;SCHEMBL1983309;DTXSID80379504;MLCRFQSWSHKLDP-UHFFFAOYSA-N;AKOS005257330;AC-3998;AM61295;CS-W014255;FS-2089;2-trifluoromethyl-4-methoxybenzoic acid;2-(Trifluoromethyl)-4-methoxybenzoic acid;FT-0602674;EN300-78362;A805750;J-005546;J-515625;4-methoxy-2-(trifluoromethyl)benzoic acid, AldrichCPR

Chemical Property of 4-methoxy-2-(trifluoromethyl)benzoic Acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.00256mmHg at 25°C
• Melting Point: 147-150 °C
• Refractive Index: 1.474
• Boiling Point: 274.816 °C at 760 mmHg
• PKA: 3.50±0.36(Predicted)
• Flash Point: 120.004 °C
• PSA: 46.53000
• Density: 1.38 g/cm³
• LogP: 2.41220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)O)C(F)(F)F
• Uses: 4-methoxy-2-(trifluoromethyl)benzoic acid is useful as a reactant for the synthesis of phenothiazines.

Technology Process of 4-methoxy-2-(trifluoromethyl)benzoic Acid

There total 2 articles about 4-methoxy-2-(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:

carbon dioxide (124-38-9,18923-20-1) + 3-trifluoromethyl-4-bromo-1-methoxy-benzene (400-72-6) → 4-methoxy-2-(trifluoromethyl)benzoic acid (127817-85-0)

Guidance literature:

With hydrogenchloride; iodine; In tetrahydrofuran;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 3-(trifluoromethyl)anisole (454-90-0) → 4-methoxy-2-(trifluoromethyl)benzoic acid (127817-85-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1002/ardp.19903230204

Reference yield: 96.0%

4-methoxy-2-(trifluoromethyl)benzoic acid (127817-85-0) → 3-trifluoromethyl-4-bromo-1-methoxy-benzene (400-72-6)

Guidance literature:

With potassium phosphate; tetrabuthylammonium tribromide; In acetonitrile; at 100 ℃; for 16h;

DOI:10.1039/c8sc01016a

upstream raw materials:

carbon dioxide

3-(trifluoromethyl)anisole

3-trifluoromethyl-4-bromo-1-methoxy-benzene

Downstream raw materials:

4-Methoxy-2-trifluormethylbenzoesaeurechlorid

N-(4-Hydroxyphenyl)-N-(1,1,1-trifluor-2-propyl)-4-hydroxy-2-trifluormethylbenzamid

N-(4-Methoxyphenyl)-N-(1,1,1-trifluor-2-propyl)-4-methoxy-2-trifluormethylbenzamid

4-hydroxy-2-(trifluoromethyl)benzoic acid