Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI)
• CAS No.: 838856-88-5
• Molecular Formula: C9H9 F O4
• Molecular Weight: 200.166
• Hs Code.: 2918990090
• Mol file: 838856-88-5.mol

Synonyms:Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI)

Chemical Property of Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI)

Chemical Property:

• PSA: 55.76000
• LogP: 1.32650

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-fluoro-5-hydroxy-4-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI)

There total 6 articles about Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester (9CI) 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:

3-acetoxy-4-methoxy-benzoic acid methyl ester (115124-31-7) → 3-fluoro-5-hydroxy-4-methoxybenzoic acid methyl ester (838856-88-5) + 2-fluoro-3-hydroxy-4-methoxybenzoic acid methyl ester (1195945-49-3)

Guidance literature:

3-acetoxy-4-methoxy-benzoic acid methyl ester; With Selectfluor; In acetonitrile; at 170 ℃; for 0.116667h; Inert atmosphere; Microwave irradiation;

With potassium carbonate; In methanol; at 60 ℃; for 3h; Inert atmosphere;

Reference yield:

BF4(1-)*C11H11N2O5(1+) → 3-fluoro-5-hydroxy-4-methoxybenzoic acid methyl ester (838856-88-5)

Guidance literature:

In 1,2,4-Trichlorobenzene; at 110 ℃; for 17h;

Reference yield:

methyl 3-(acetyloxy)-4-(methyloxy)-5-nitrobenzoate (838856-86-3) → 3-fluoro-5-hydroxy-4-methoxybenzoic acid methyl ester (838856-88-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogen / palladium 10% on activated carbon / ethyl acetate / 24 h / 760.05 Torr

2.1: boron trifluoride diethyl etherate / 1,2-dimethoxyethane / 0.02 - 0.03 h / 0 °C

2.2: 0.25 h / 0 °C

3.1: 1,2,4-Trichlorobenzene / 17 h / 110 °C

With boron trifluoride diethyl etherate; hydrogen; palladium 10% on activated carbon; In 1,2-dimethoxyethane; ethyl acetate; 1,2,4-Trichlorobenzene;

upstream raw materials:

3-acetoxy-4-methoxy-benzoic acid methyl ester

methyl 3-(acetyloxy)-4-(methyloxy)-5-nitrobenzoate

3-hydroxy-4-methoxybenzoate

Isovanillic acid

Downstream raw materials:

methyl 3-fluoro-4-(methyloxy)-5-[(phenylmethyl)oxy]benzoate

{3-fluoro-4-(methyloxy)-5-[(phenylmethyl)oxy]phenyl}methanol

{3-fluoro-4-(methyloxy)-5-[(phenylmethyl)oxy]phenyl}acetonitrile

C₁₈H₁₆FNO₃