4-(4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine

Base Information

• Chemical Name: 4-(4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine
• CAS No.: 211230-35-2
• Molecular Formula: C16H19N3O3S
• Molecular Weight: 333.411
• Mol file: 211230-35-2.mol

Synonyms:4-(4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine

Chemical Property of 4-(4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine

Chemical Property:

• Boiling Point: 493.6±35.0 °C(Predicted)
• PKA: 2.81±0.10(Predicted)
• PSA: 98.64000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 3.06890
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-((4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(4-Methoxybenzylamino)-2-methanethiopyrimidine-5-carboxylic Acid Ethyl Ester is used in the preparation of pyrimidine derivatives for the treatment of metabolic bone disease.

Technology Process of 4-(4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine

There total 3 articles about 4-(4-MethoxybenzylaMino)-5-ethoxycarbonyl-2-MethylthiopyriMidine 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:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) + 4-methoxy-benzylamine (2393-23-9) → 4-(4-methoxybenzylamino)-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester (211230-35-2)

Guidance literature:

With triethylamine; In tetrahydrofuran;

Reference yield:

diethyl 2-ethoxymethylenemalonate (87-13-8) → 4-(4-methoxybenzylamino)-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester (211230-35-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide

2: trichlorophosphate

3: 20 °C

With sodium hydroxide; trichlorophosphate;

DOI:10.1039/d2ra01224c

Reference yield:

ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate (53554-29-3) → 4-(4-methoxybenzylamino)-2-methanesulfanyl-pyrimidine-5-carboxylic acid ethyl ester (211230-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate

2: 20 °C

With trichlorophosphate;

DOI:10.1039/d2ra01224c

upstream raw materials:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

4-methoxy-benzylamine

diethyl 2-ethoxymethylenemalonate

ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate

Downstream raw materials:

[4-(4-methoxybenzylamino)-2-methanesulfanyl-pyrimidin-5-yl]-methanol