4-Fluoro-3-(methoxycarbonyl)benzyl alcohol, [4-Fluoro-3-(methoxycarbonyl)phenyl]methanol

Base Information

• Chemical Name: 4-Fluoro-3-(methoxycarbonyl)benzyl alcohol, [4-Fluoro-3-(methoxycarbonyl)phenyl]methanol
• CAS No.: 816449-70-4
• Molecular Formula: C₉H₉FO₃
• Molecular Weight: 184.167
• Hs Code.: 2918290090
• Mol file: 816449-70-4.mol

Synonyms:methyl 2-fluoro-5-(hydroxymethyl)benzoate

Chemical Property of 4-Fluoro-3-(methoxycarbonyl)benzyl alcohol, [4-Fluoro-3-(methoxycarbonyl)phenyl]methanol

Chemical Property:

• Boiling Point: 308.0±37.0 °C(Predicted)
• PKA: 14.09±0.10(Predicted)
• Density: 1.266±0.06 g/cm3(Predicted)

Purity/Quality:

98% ^*data from raw suppliers

Methyl 2-fluoro-5-(hydroxymethyl)benzoate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-Fluoro-3-(methoxycarbonyl)benzyl alcohol, [4-Fluoro-3-(methoxycarbonyl)phenyl]methanol

There total 4 articles about 4-Fluoro-3-(methoxycarbonyl)benzyl alcohol, [4-Fluoro-3-(methoxycarbonyl)phenyl]methanol 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: 89.0%

methyl 2-fluoro-5-formylbenzoate (165803-94-1) → methyl 2-fluoro-5-(hydroxymethyl)benzoate (816449-70-4)

Guidance literature:

With sodium tetrahydroborate; ethanol; at 20 ℃; for 1h;

Reference yield: 50.1%

dimethyl 4-fluoroisophthalate (779-72-6) → 4-fluoro-3-hydroxymethyl-benzoic acid methyl ester (816449-69-1) + methyl 2-fluoro-5-(hydroxymethyl)benzoate (816449-70-4)

Guidance literature:

dimethyl 4-fluoroisophthalate; With lithium borohydride; In tetrahydrofuran; for 24h; Heating / reflux;

With hydrogenchloride; In tetrahydrofuran; water; at 0 ℃; pH=5;

Reference yield:

3-bromo-4-fluorobenzaldehyde (77771-02-9) → methyl 2-fluoro-5-(hydroxymethyl)benzoate (816449-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; triethylamine / N,N-dimethyl-formamide / 24 h / 80 °C / 4137.29 Torr / Autoclave

2: sodium tetrahydroborate; ethanol / 1 h / 20 °C

With 1,1'-bis-(diphenylphosphino)ferrocene; sodium tetrahydroborate; ethanol; palladium diacetate; triethylamine; In N,N-dimethyl-formamide;

upstream raw materials:

dimethyl 4-fluoroisophthalate

methanol

2-fluoro-5-(hydroxymethyl)benzoic acid

methyl 2-fluoro-5-formylbenzoate

Downstream raw materials:

C₁₆H₁₄FNO₄

2-fluoro-5-bromomethyl benzoic acid methyl ester

methyl 5-(cyanomethyl)-2-fluorobenzoate

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