5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid

Base Information

• Chemical Name: 5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid
• CAS No.: 38275-34-2
• Molecular Formula: C₆H₅ClN₂O₄S
• Molecular Weight: 236.636
• Hs Code.: 2933599090
• European Community (EC) Number: 843-218-9
• DSSTox Substance ID: DTXSID50361315
• Nikkaji Number: J1.708.857B
• Wikidata: Q82143598
• Mol file: 38275-34-2.mol

Synonyms:38275-34-2;5-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid;PK11000;5-chloro-2-(methylsulfonyl)-4-Pyrimidinecarboxylic acid;MFCD00507244;5-chloro-2-methylsulfonylpyrimidine-4-carboxylic acid;5-chloro-2-methanesulfonylpyrimidine-4-carboxylic acid;SCHEMBL2475444;DTXSID50361315;BCP30143;EX-A3577;HY-U00447;s8728;STK822515;AKOS000267675;CCG-266846;BS-13941;SY059860;CS-0035401;FT-0737213;EN300-27043;PK11007, >=98% (HPLC);A16833;C74952;A873890;2-(Methylsulfonyl)-5-chloropyrimidine-4-carboxylic acid;5-chloro-2-methanesulfonyl-pyrimidine-4-carboxylic acid;5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid, AldrichCPR

Chemical Property of 5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid

Chemical Property:

• PSA: 105.60000
• LogP: 1.31250
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble10mg/mL, clear
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 235.9658555
• Heavy Atom Count: 14
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid ≥98% (HPLC) ^*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)Cl

Technology Process of 5-Chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acid

There total 2 articles about 5-Chloro-2-(methylsulfonyl)pyrimidine-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: 63.0%

5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (61727-33-1) → 5-chloro-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid (38275-34-2)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; at 20 - 25 ℃; for 97h;

Reference yield:

→ 5-chloro-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid (38275-34-2)

Guidance literature:

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

Reference yield: 88.0%

5-chloro-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid (38275-34-2) → 5-chloro-2-(methylsulfonyl)pyrimidine (38275-47-7)

Guidance literature:

With methoxybenzene; Heating / reflux;

upstream raw materials:

5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid

Downstream raw materials:

5-chloro-2-(methylsulfonyl)pyrimidine

2-benzylamino-5-chloropyrimidine-4-carboxylic acid

5-chloro-2-(morpholin-4-yl)-pyrimidine-4-carboxylic acid

2-methylsulfonyl-4-tert-butoxycarbonylamino-5-chloropyrimidine