Methyl 4-fluoro-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 4-fluoro-2-methoxybenzoate
• CAS No.: 204707-42-6
• Molecular Formula: C9H9FO3
• Molecular Weight: 184.167
• Hs Code.: 2918990090
• European Community (EC) Number: 606-563-4
• DSSTox Substance ID: DTXSID70437147
• Nikkaji Number: J2.723.252C
• Wikidata: Q72492595
• Mol file: 204707-42-6.mol

Synonyms:Methyl 4-fluoro-2-methoxybenzoate;204707-42-6;4-Fluoro-2-methoxybenzoic acid methyl ester;Benzoic acid, 4-fluoro-2-methoxy-, methyl ester;2-Fluoro-2-methoxybenzoic acid methyl ester;MFCD06203990;Methyl 2-methoxy-4-fluoro-benzoate;SCHEMBL1146881;Methyl4-fluoro-2-methoxybenzoate;DTXSID70437147;LJUAEPNTXDJBRX-UHFFFAOYSA-N;Methyl-4-fluoro-2-methoxybenzoate;AMY30332;AKOS006282320;methyl 4-fluoranyl-2-methoxy-benzoate;AB23214;CS-W017009;AC-14741;AS-40546;2-Methoxy-4-fluorobenzoic acid methyl ester;FT-0726353;4-Fluoro-2-methoxy-benzoic acid methyl ester;EN300-7403958;A814591

Chemical Property of Methyl 4-fluoro-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.062mmHg at 25°C
• Melting Point: 134-136 °C
• Refractive Index: 1.487
• Boiling Point: 231.646 °C at 760 mmHg
• Flash Point: 91.331 °C
• PSA: 35.53000
• Density: 1.184 g/cm³
• LogP: 1.62090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl4-Fluoro-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)F)C(=O)OC
• Uses: Methyl 4-fluoro-2-methoxybenzoate ?is used as a catalyst, kinase inhibitors and pharmaceutical intermediates.

Technology Process of Methyl 4-fluoro-2-methoxybenzoate

There total 13 articles about Methyl 4-fluoro-2-methoxybenzoate 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: 100.0%

4-fluorosalicylic acid (345-29-9) + methyl iodide (74-88-4) → methyl 4-fluoro-2-methoxybenzoate (204707-42-6)

Guidance literature:

4-fluorosalicylic acid; With potassium carbonate; In acetone; at 40 ℃; for 0.333333h; Inert atmosphere;

methyl iodide; In acetone; for 20h; Reflux;

Reference yield: 98.0%

methanol (67-56-1) + 4-fluoro-2-methoxy-benzoic acid (395-82-4) → methyl 4-fluoro-2-methoxybenzoate (204707-42-6)

Guidance literature:

With sulfuric acid; for 23h; Reflux;

Reference yield: 75.0%

4-fluorosalicylic acid (345-29-9) + dimethyl sulfate (77-78-1) → methyl 4-fluoro-2-methoxybenzoate (204707-42-6)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Heating;

DOI:10.1016/0223-5234(93)90129-3

upstream raw materials:

4-fluorosalicylic acid

dimethyl sulfate

methyl 4-fluoro-2-hydroxybenzoate

methyl iodide

Downstream raw materials:

2-methoxy-4-phenoxybenzoic acid

methyl 2-methoxy-4-phenoxybenzoate

tert-butyl 4-(3-methoxy-4-methoxycarbonylphenyl)piperazine-1-carboxylate

Refernces

• 1、 -. "Pyrazolo [3,4 - the b] pyridine and [...] composition preparation method and use of (by machine translation)". Paragraph 0534; 0535; 0536; 0537. . Retrieved 2017/07/22.
• 2、 -. "Modulators of methyl modifying enzymes, compositions and uses thereof". Page/Page column 135; 136. . Retrieved 2015/12/26.