ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE

Base Information

• Chemical Name: ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
• CAS No.: 148550-51-0
• Molecular Formula: C8H10 N2 O4 S
• Molecular Weight: 230.244
• Hs Code.: 2933599090
• Mol file: 148550-51-0.mol

Synonyms:2-(Methylsulfonyl)-5-pyrimidinecarboxylicacid ethyl ester; Ethyl 2-(methylsulfonyl)-5-pyrimidinecarboxylate; NSC 79615

Chemical Property of ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 7.41E-07mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 407.7°C at 760 mmHg
• PKA: -4.99±0.22(Predicted)
• Flash Point: 200.4°C
• PSA: 94.60000
• Density: 1.338g/cm³
• LogP: 1.13760
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(methylsulfonyl)pyrimidine-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE

There total 3 articles about ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE 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: 85.0%

ethyl 2-(methylthio)pyrimidine-5-carboxylate (73781-88-1) → ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate (148550-51-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1080/00397919308009831

Reference yield: 21.7%

ethyl 2,4-bis(methylthio)pyrimidine-5-carboxylate (5909-25-1) + ethyl 2-(methylthio)pyrimidine-5-carboxylate (73781-88-1) → ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate (148550-51-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

Reference yield:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) → ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate (148550-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: water monomer; zinc powder; tert-butyl alcohol / tetrahydrofuran / 18 h / 90 °C

2: 3-chloro-benzenecarboperoxoic acid / tetrahydrofuran / 0 - 20 °C / Inert atmosphere

With water monomer; 3-chloro-benzenecarboperoxoic acid; zinc powder; tert-butyl alcohol; In tetrahydrofuran;

DOI:10.1021/jm101177s

upstream raw materials:

ethyl 2-(methylthio)pyrimidine-5-carboxylate

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

ethyl 2,4-bis(methylthio)pyrimidine-5-carboxylate

Downstream raw materials:

2-[Acetyl-(2-ethynyl-phenyl)-amino]-pyrimidine-5-carboxylic acid ethyl ester

ethyl 2-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]pyrimidine-5-carboxylate

ethyl 2-{6-[(4-fluorobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate

ethyl 2-{6-[(4-chlorobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate