Methyl 4-Fluoro-3-hydroxybenzoate

Base Information

• Chemical Name: Methyl 4-Fluoro-3-hydroxybenzoate
• CAS No.: 214822-96-5
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 2918290000
• European Community (EC) Number: 606-779-9
• DSSTox Substance ID: DTXSID10475881
• Nikkaji Number: J3.473.832G
• Wikidata: Q82306701
• Mol file: 214822-96-5.mol

Synonyms:Methyl 4-Fluoro-3-hydroxybenzoate;214822-96-5;4-Fluoro-3-hydroxybenzoic Acid Methyl Ester;4-Fluoro-3-hydroxy-benzoic acid methyl ester;MFCD06797457;Benzoic acid, 4-fluoro-3-hydroxy-, methyl ester;SCHEMBL851097;DTXSID10475881;CUGWNEOTLGLGDG-UHFFFAOYSA-N;AKOS015914715;PS-8703;SY050875;CS-0188238;FT-0654614;M1919;EN300-1178548;A815409

Chemical Property of Methyl 4-Fluoro-3-hydroxybenzoate

Chemical Property:

• Melting Point: 89-91°C
• Boiling Point: 268.9 °C at 760 mmHg
• PKA: 7.89±0.10(Predicted)
• Flash Point: 116.4 °C
• PSA: 46.53000
• Density: 1.309 g/cm³
• LogP: 1.31790
• Solubility.: soluble in Methanol
• 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:

99.9% ^*data from raw suppliers

Methyl 4-Fluoro-3-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-Fluoro-3-hydroxybenzoate

There total 10 articles about Methyl 4-Fluoro-3-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: 99.0%

4-fluoro-3-hydroxybenzoic acid (51446-31-2) → 4-Fluoro-3-hydroxy-benzoic acid methyl ester (214822-96-5)

Guidance literature:

With sulfuric acid; sodium hydrogencarbonate; trimethyl orthoformate; In methanol;

Reference yield: 98.0%

4-fluoro-3-hydroxybenzoic acid (51446-31-2) + trimethyl orthoformate (149-73-5) → 4-Fluoro-3-hydroxy-benzoic acid methyl ester (214822-96-5)

Guidance literature:

With sulfuric acid; In methanol; at 20 - 50 ℃;

Reference yield: 92.0%

methanol (67-56-1) + 4-fluoro-3-hydroxybenzoic acid (51446-31-2) → 4-Fluoro-3-hydroxy-benzoic acid methyl ester (214822-96-5)

Guidance literature:

With sulfuric acid; In methanol; at 70 ℃; for 8h;

upstream raw materials:

methanol

4-fluoro-3-hydroxybenzoic acid

trimethyl orthoformate

methyl 4-flurobenzoate

Downstream raw materials:

3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-propoxy]-4-fluoro-benzoic acid methyl ester

methyl 3-benzyloxy-4-fluorobenzoate

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、 -. "HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS". Paragraph 0903. . Retrieved 2018/06/12.