5-PYRIMIDINECARBOXYLIC ACID, 4,6-DICHLORO-,METHYL ESTER

Base Information

• Chemical Name: 5-PYRIMIDINECARBOXYLIC ACID, 4,6-DICHLORO-,METHYL ESTER
• CAS No.: 87600-71-3
• Molecular Formula: C₆H₄Cl₂N₂O₂
• Molecular Weight: 207.016
• Hs Code.: 2933599090
• Mol file: 87600-71-3.mol

Synonyms:QC-9244;

Chemical Property of 5-PYRIMIDINECARBOXYLIC ACID, 4,6-DICHLORO-,METHYL ESTER

Chemical Property:

• Melting Point: 47-49℃
• Boiling Point: 300.3±37.0 °C(Predicted)
• PKA: -6.01±0.26(Predicted)
• PSA: 52.08000
• Density: 1.503
• LogP: 1.57000
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

99.90% ^*data from raw suppliers

Methyl4,6-dichloropyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-PYRIMIDINECARBOXYLIC ACID, 4,6-DICHLORO-,METHYL ESTER

There total 1 articles about 5-PYRIMIDINECARBOXYLIC ACID, 4,6-DICHLORO-,METHYL ESTER 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: 52.0%

4,6-dichloro-pyrimidine-5-carboxylic acid (87600-98-4) + methyl iodide (74-88-4) → 4,6-dichloro-5-pyrimidinecarboxylic acid methyl ester (87600-71-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1021/jm100443s

Reference yield:

4,6-dichloro-5-pyrimidinecarboxylic acid methyl ester (87600-71-3) → methyl 4-(2,2-difluoroethoxy)-6-formylpyrimidine-5-carboxylate

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 - 35 °C

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate / water; 1,2-dimethoxyethane / 90 °C / Inert atmosphere

3: sodium periodate / water; acetonitrile; acetone / 10 - 35 °C

With sodium periodate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium hydride; sodium carbonate; In tetrahydrofuran; 1,2-dimethoxyethane; water; acetone; acetonitrile; mineral oil;

Reference yield:

4,6-dichloro-5-pyrimidinecarboxylic acid methyl ester (87600-71-3) → methyl 4-formyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate / water; 1,2-dimethoxyethane / 2 h / 90 °C

3: sodium periodate / water; acetonitrile; acetone / 10 - 35 °C

With sodium periodate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium hydride; sodium carbonate; In tetrahydrofuran; 1,2-dimethoxyethane; water; acetone; acetonitrile; mineral oil;

upstream raw materials:

4,6-dichloro-pyrimidine-5-carboxylic acid

methyl iodide

Refernces