2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid

Base Information

• Chemical Name: 2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid
• CAS No.: 30321-94-9
• Molecular Formula: C₆H₅BrN₂O₄S
• Molecular Weight: 281.087
• Hs Code.: 2933599090
• European Community (EC) Number: 825-011-5
• DSSTox Substance ID: DTXSID40406769
• Nikkaji Number: J2.511.753K
• Wikidata: Q82211859
• Mol file: 30321-94-9.mol

Synonyms:30321-94-9;2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid;5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic acid;5-bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid;5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid;5-bromo-2-methanesulfonylpyrimidine-4-carboxylic acid;MFCD06742786;5-Bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylicacid;5-Bromo-2-methanesulfonyl-pyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-;SCHEMBL18528954;DTXSID40406769;IFLAB-BB F2124-0044;AKOS000320062;CS-W003337;DD-0742;SY007066;FT-0648530;EN300-219692;A876218;J-516844;5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylicacid;5-Bromo-2-(methanesulfonyl)pyrimidine-4-carboxylic acid;F2124-0044;Z1269174147;5-Bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic aicd, AldrichCPR

Chemical Property of 2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.26E-12mmHg at 25°C
• Boiling Point: 525.4oC at 760 mmHg
• PKA: 0.86±0.10(Predicted)
• Flash Point: 271.5oC
• PSA: 105.60000
• Density: 1.92g/cm3
• LogP: 1.42160
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 279.91534
• Heavy Atom Count: 14
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylicacid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Br

Technology Process of 2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid

There total 2 articles about 2-Methylsulfonyl-5-bromopyrimidine-4-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:

5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid (50593-92-5) → 2-Methansulfonyl-5-brom-4-pyrimidincarbonsaeure (30321-94-9)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1080/00397910701396930

Reference yield:

→ 2-Methansulfonyl-5-brom-4-pyrimidincarbonsaeure (30321-94-9)

Guidance literature:

2-Methylthio-5-brom-4-pyrimidincarbonsaeure, H2O2;

upstream raw materials:

5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid