Methyl 3-fluoro-4-hydroxybenzoate

Base Information

• Chemical Name: Methyl 3-fluoro-4-hydroxybenzoate
• CAS No.: 403-01-0
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 2918290000
• European Community (EC) Number: 846-367-8
• DSSTox Substance ID: DTXSID90427106
• Nikkaji Number: J773.050K
• Wikidata: Q72479953
• Mol file: 403-01-0.mol

Synonyms:Methyl 3-fluoro-4-hydroxybenzoate;403-01-0;3-Fluoro-4-hydroxy-benzoic acid methyl ester;3-Fluoro-4-hydroxy benzoic acid methyl ester;3-Fluoro-4-hydroxybenzoic acid methyl ester;Benzoic acid, 3-fluoro-4-hydroxy-, methyl ester;MFCD00215838;METHYL3-FLUORO-4-HYDROXYBENZOATE;SCHEMBL199239;DTXSID90427106;IYUSGKSCDUJSKS-UHFFFAOYSA-N;AMY14602;methyl 3-fluoro-4-hydroxy-benzoate;AKOS006272473;CS-W005048;AC-12550;AS-18348;SY017184;Methyl 3-fluoro-4-hydroxybenzenecarboxylate;FT-0632097;3-FLUORO-4-HYDROXY-BENZOICACIDMETHYLESTER;EN300-3199177;W-202661;Z1198152178

Chemical Property of Methyl 3-fluoro-4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.0078mmHg at 25°C
• Melting Point: 91-93℃
• Refractive Index: 1.526
• Boiling Point: 259.9 °C at 760 mmHg
• PKA: 7.10±0.18(Predicted)
• Flash Point: 111 °C
• PSA: 46.53000
• Density: 1.309 g/cm³
• LogP: 1.31790
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• 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

Methyl3-fluoro-4-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)O)F

Technology Process of Methyl 3-fluoro-4-hydroxybenzoate

There total 12 articles about Methyl 3-fluoro-4-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: 91.6%

3-fluoro-4-hydroxybenzoic acid (350-29-8) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → methyl 3-fluoro-4-hydroxybenzoate (403-01-0)

Guidance literature:

With sulfuric acid; sodium hydrogencarbonate; In methanol; hexane;

Reference yield: 87.0%

methanol (67-56-1) + 3-fluoro-4-hydroxybenzoic acid (350-29-8) → methyl 3-fluoro-4-hydroxybenzoate (403-01-0)

Guidance literature:

With sulfuric acid; at 80 ℃; Cold solution;

Reference yield: 86.0%

3-fluoro-4-hydroxybenzoic acid (350-29-8) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 3-fluoro-4-hydroxybenzoate (403-01-0)

Guidance literature:

In methanol; dichloromethane;

DOI:10.1016/0040-4039(96)01704-2

upstream raw materials:

3-fluoro-4-hydroxybenzoic acid

methyl 4-hydroxylbenzoate

diazomethyl-trimethyl-silane

3-fluoro-p-anisic acid

Downstream raw materials:

4-(4-Butylcarbamoyl-benzyloxy)-3-fluoro-benzoic acid methyl ester

3-fluoro-4-hydroxybenzoic acid hydrazide

4-(2-bromo-ethoxy)-3-fluoro-benzoic acid methyl ester

methyl 5-bromo-3-fluoro-4-hydroxybenzoate

Refernces

• 1、 Wright, Jay S.,Sharninghausen, Liam S.,Preshlock, Sean,Brooks, Allen F.,Sanford, Melanie S.,Scott, Peter J. H.. "Sequential Ir/Cu-Mediated Method for the Meta-Selective C-H Radiofluorination of (Hetero)Arenes". . p. 6915 - 6921. Retrieved 2021/05/29.
• 2、 Buljan, An?ela,Kne?evi?, Anamarija,Dokli, Irena,Lesac, Andreja. "Synthesis and Mesomorphic Properties of Novel Bent-shaped Naphthyl Diketones". . p. 173 - 179. Retrieved 2019/12/12.