5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-

Base Information

• Chemical Name: 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-
• CAS No.: 771-81-3
• Molecular Formula: C6H7N3O2S
• Molecular Weight: 185.206
• Hs Code.: 2933599090
• Mol file: 771-81-3.mol

Synonyms:4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;

Chemical Property of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-

Chemical Property:

• Melting Point: 251-252 °C (decomp)
• Boiling Point: 435.0±30.0 °C(Predicted)
• PKA: 2.29±0.10(Predicted)
• PSA: 114.40000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 1.06010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-2-(methylthio)pyrimidine-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-

There total 4 articles about 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)- 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: 91.0%

ethyl 4-amino-2-methylmercaptopyrimidine-5-carboxylate (776-53-4) → 4-amino-2-(methylthio)pyrimidine-5-carboxylic acid (771-81-3)

Guidance literature:

With water; lithium hydroxide; In methanol; at 50 ℃; for 5h;

Reference yield:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) → 4-amino-2-(methylthio)pyrimidine-5-carboxylic acid (771-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; ammonia / tetrahydrofuran / 3 h / 20 °C

2: lithium hydroxide; water / tetrahydrofuran / 4 h / 100 °C

With ammonia; water; triethylamine; lithium hydroxide; In tetrahydrofuran;

DOI:10.1021/ml500474d

Reference yield:

ethyl 4-amino-2-thioxo-1H-pyrimidine-5-carboxylate (774-07-2) → 4-amino-2-(methylthio)pyrimidine-5-carboxylic acid (771-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: water; KOH

2: water; KOH

With potassium hydroxide; water;

DOI:10.1021/jo01111a021

upstream raw materials:

ethyl 4-amino-2-methylmercaptopyrimidine-5-carboxylate

ethyl 4-amino-2-thioxo-1H-pyrimidine-5-carboxylate

dimethyl sulfate

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

Downstream raw materials:

N-(4-methoxybenzyl)-4-amino-2-methylmercaptopyrimidine-5-carboxamide

(4-amino-2-(methylthio)pyrimidin-5-yl)methanol

4-amino-2-methylthiopyrimidine-5-carboxamide

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