4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

Base Information

• Chemical Name: 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
• CAS No.: 686267-34-5
• Molecular Formula: C13H13N3O2S
• Molecular Weight: 275.331
• Hs Code.: 2933599090
• Mol file: 686267-34-5.mol

Synonyms:5-Pyrimidinecarboxylic acid,2-(methylthio)-4-[(phenylmethyl)amino];4-(benzylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid;4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylic acid;

Chemical Property of 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 502.28oC at 760 mmHg
• Flash Point: 257.57oC
• PSA: 100.41000
• Density: 1.372g/cm3
• LogP: 2.58180
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

There total 6 articles about 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC 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: 100.0%

ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate (100973-67-9) → 4-(benzylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid (686267-34-5)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; at 50 ℃; for 5h;

DOI:10.1016/j.bmc.2006.10.015

Reference yield: 78.0%

→ 4-(benzylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid (686267-34-5)

Guidance literature:

Reference yield:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) → 4-(benzylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid (686267-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / ethyldiisopropylamine / acetonitrile / 5 h / 20 °C

2: 100 percent / NaOH / methanol; tetrahydrofuran / 5 h / 50 °C

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; acetonitrile;

DOI:10.1016/j.bmc.2006.10.015

upstream raw materials:

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

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

benzylamine

methyl 4-[(2-ethylbutyl)amino]-2-(methylthio)pyrimidine-5-carboxylate

Downstream raw materials:

N-[4-(isopropyl)-phenyl]{2-methylthio-4-[(4-pyridylmethyl)-amino]-pyrimidin-5-yl}-carboxamide

4-((4-(benzylamino)-5-carbamoylpyrimidin-2-yl)amino)phenyl methanesulfonate

4-((4-(benzylamino)-5-carbamoylpyrimidin-2-yl)amino)phenyl propane-2-sulfonate

4-((4-(benzylamino)-5-carbamoylpyrimidin-2-yl)amino)-2-(dimethylamino)phenyl methanesulfonate

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