5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid

Base Information

• Chemical Name: 5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid
• CAS No.: 949465-79-6
• Molecular Formula: C16H14ClFO4
• Molecular Weight: 324.736
• Hs Code.: 2918990090
• Mol file: 949465-79-6.mol

Synonyms:5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoic acid;

Chemical Property of 5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid

Chemical Property:

• PSA: 55.76000
• Density: 1.322±0.06 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 3.78530
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

5-(3-Chloro-2-fluorobenzyl)-2,4-dimethoxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid

There total 2 articles about 5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid 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: 89.7%

C16H14ClFO5 (1011732-91-4) → 5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid (949465-79-6)

Guidance literature:

C₁₆H₁₄ClFO₅; With triethylsilane; trifluoroacetic acid; at 0 - 15 ℃; for 1h;

With sodium acetate; In methanol; for 3h; Product distribution / selectivity; Heating / reflux;

Reference yield: 81.0%

methyl 5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoate (949465-78-5) → 5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid (949465-79-6)

Guidance literature:

methyl 5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoate; With sodium hydroxide; water; isopropyl alcohol; at 70 ℃; for 3h;

With hydrogenchloride; water; In 3-methyl-butan-2-one; at 10 - 20 ℃;

Reference yield: 73.0%

5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid (949465-79-6) + phenylacetylene (536-74-3) → 1-(3-chloro-2-fluorobenzyl)-2,4-dimethoxy-5-(phenylethynyl)benzene

Guidance literature:

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00772

upstream raw materials:

C₁₆H₁₄ClFO₅

methyl 5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoate

Downstream raw materials:

C₁₉H₁₆ClFN₂O₃

5-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid chloride

C₁₅H₁₂BrClFO₃^(1-)*Cl^(1-)*Mg⁽²⁺⁾

Refernces

• 1、 -. "PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS". Page/Page column 17; 18. . Retrieved 2008/06/13.