Ethyl 5-fluoro-2-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 5-fluoro-2-hydroxybenzoate
• CAS No.: 443-12-9
• Molecular Formula: C9H9 F O3
• Molecular Weight: 184.167
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID80382492
• Wikidata: Q82173845
• Mol file: 443-12-9.mol

Synonyms:ethyl 5-fluoro-2-hydroxybenzoate;443-12-9;5-fluoro-2-hydroxybenzoic acid ethyl ester;ethyl 5-fluorosalicylate;SCHEMBL3895996;DTXSID80382492;UBKHMRMAZCHHDV-UHFFFAOYSA-N;MFCD06204746;TS-02565;5-Fluoro-2-hydroxy-benzoic acid ethyl ester;CS-0206505;FT-0738596

Chemical Property of Ethyl 5-fluoro-2-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.00994mmHg at 25°C
• Refractive Index: 1.52
• Boiling Point: 255.8°C at 760 mmHg
• PKA: 9.94±0.18(Predicted)
• Flash Point: 108.5°C
• PSA: 46.53000
• Density: 1.257g/cm³
• LogP: 1.70800
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 5-fluoro-2-hydroxybenzoate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-fluoro-2-hydroxybenzoate

There total 7 articles about Ethyl 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:

ethanol (64-17-5) + 5-fluoro-2-hydroxybenzoic acid (345-16-4) → ethyl 5-fluoro-2-hydroxybenzoate (443-12-9)

Guidance literature:

With sulfuric acid; Heating;

Reference yield:

5-fluoro-2-methoxybenzoic acid (394-04-7) → ethyl 5-fluoro-2-hydroxybenzoate (443-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HBr; acetic acid

With hydrogen bromide; acetic acid;

DOI:10.1021/jo01375a009

Reference yield:

1-fluoro-4-methoxybenzene (459-60-9) → ethyl 5-fluoro-2-hydroxybenzoate (443-12-9)

Guidance literature:

Multi-step reaction with 4 steps

1: AlCl₃; CS₂

2: aqueous NaBrO

3: aqueous HBr; acetic acid

With carbon disulfide; aluminium trichloride; sodium hypobromide; hydrogen bromide; acetic acid;

DOI:10.1021/jo01375a009

upstream raw materials:

5-fluoro-2-hydroxybenzoic acid

ethanol

1-fluoro-4-methoxybenzene

5-fluoro-2-methoxybenzoic acid

Downstream raw materials:

ethyl 3-amino-5-fluoro-2-hydroxybenzoate

5-fluoro-2,N-dihydroxy-benzamide

ethyl 5-fluoro-2-hydroxy-3-nitrobenzoate

5-fluoro-2-hydroxy-benzoic acid hydrazide

Refernces