Methyl 5-fluoro-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 5-fluoro-2-hydroxybenzoate
• CAS No.: 391-92-4
• Molecular Formula: C8H7FO3
• Molecular Weight: 294.71
• Hs Code.: 29182900
• European Community (EC) Number: 626-777-1
• DSSTox Substance ID: DTXSID40382493
• Nikkaji Number: J2.231.758J
• Wikidata: Q82173846
• Mol file: 391-92-4.mol

Synonyms:Methyl 5-fluoro-2-hydroxybenzoate;391-92-4;Methyl 5-fluorosalicylate;Benzoic acid, 5-fluoro-2-hydroxy-, methyl ester;MFCD03427141;5-Fluoro-2-hydroxy-benzoic acid methyl ester;SCHEMBL1367028;DTXSID40382493;DGHBWVVOJLVMFF-UHFFFAOYSA-N;5-fluorosalicylic acid methyl ester;BCP30404;methyl 5-fluoro-2-hydroxy-benzoate;AKOS015890199;CS-W005914;PS-8704;METHYL5-FLUORO-2-HYDROXYBENZOATE;Methyl 5-fluoro-2-hydroxybenzoate, 97%;SY109922;2-Hydroxy-5-fluorobenzoic acid methyl ester;AM20040353;FT-0649395;A824451

Chemical Property of Methyl 5-fluoro-2-hydroxybenzoate

Chemical Property:

• Appearance/Colour: Pale yellow low melting solid
• Vapor Pressure: 0.0265mmHg at 25°C
• Melting Point: 30-34°C
• Refractive Index: 1.526
• Boiling Point: 239.1 °C at 760 mmHg
• PKA: 9.77±0.18(Predicted)
• Flash Point: 98.4 °C
• PSA: 46.53000
• Density: 1.309g/cm³
• LogP: 1.31790
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-Fluoro-2-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)F)O
• Uses: Methyl 5-fluoro-2-hydroxybenzoate can be used as pharmaceutical intermediates and organic synthesis intermediates, for laboratory research.

Technology Process of Methyl 5-fluoro-2-hydroxybenzoate

There total 11 articles about Methyl 5-fluoro-2-hydroxybenzoate 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: 92.0%

methanol (67-56-1) + 5-fluoro-2-hydroxybenzoic acid (345-16-4) → methyl 5-fluoro-2-hydroxybenzoate (391-92-4)

Guidance literature:

With sulfuric acid; at 80 ℃; Cooling with ice;

Reference yield: 90.0%

methanol (67-56-1) + 5-fluoro-2-hydroxybenzoic acid (345-16-4) + trimethyl orthoformate (149-73-5) → methyl 5-fluoro-2-hydroxybenzoate (391-92-4)

Guidance literature:

methanol; 5-fluoro-2-hydroxybenzoic acid; With sulfuric acid; for 4h; Heating / reflux;

trimethyl orthoformate; at 66 ℃; for 16h;

Reference yield: 72.0%

→ methyl 5-fluoro-2-hydroxybenzoate (391-92-4)

Guidance literature:

With sulfuric acid; at 80 ℃; for 12h;

upstream raw materials:

methanol

5-fluoro-2-hydroxybenzoic acid

methyl salicylate

methyl 3-fluorobenzoate

Downstream raw materials:

5-fluoro-2-(2-phenylethoxy]benzyl Alcohol

5-Fluoro-2-(2-phenylethoxy)phenylacetic acid

2-(5-fluoro-2-phenethyloxy-phenyl)-N,N-dipropyl-acetamide

methyl 5-fluoro-2-[((trifluoromethyl)sulfonyl)oxy]benzoate

Refernces

• 1、 -. "MODIFIED COMPOUND OF ANDROGRAPHOLIDE". Paragraph 0184-0186. . Retrieved 2019/01/04.
• 2、 -. "ASK1 INHIBITING AGENTS". Page/Page column 176; 180. . Retrieved 2018/09/08.