6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

Base Information

• Chemical Name: 6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
• CAS No.: 6461-30-9
• Molecular Formula: C₅H₅ClN₂O₄S
• Molecular Weight: 224.625
• Hs Code.: 2933599090
• European Community (EC) Number: 833-379-3
• NSC Number: 46425
• DSSTox Substance ID: DTXSID20286546
• Wikidata: Q82022315
• Mol file: 6461-30-9.mol

Synonyms:6461-30-9;6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride;6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride;6-Methyluracil-5-sulfonyl chloride;NSC 46425;1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinesulfonyl chloride;NSC46425;6-methyluracil-5-sulfochloride;SCHEMBL3377395;DTXSID20286546;6-Methyluracil-5-sulphonyl chloride;BBL009797;MFCD00476725;NSC-46425;STK289615;AKOS000130524;AKOS006220679;VS-02188;BB 0242430;CS-0261432;FT-0606191;EN300-78492;A867851;5-Pyrimidine sulfonyl chloride, 1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-;5-Pyrimidinesulfonylchloride,1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-;6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinesulfonyl chloride #;6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimi dine-5-sulfonyl chloride;6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride, AldrichCPR

Chemical Property of 6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

Chemical Property:

• Melting Point: 269-270 °C(Solv: acetic acid (64-19-7))
• PKA: 5.39±0.10(Predicted)
• PSA: 108.24000
• Density: 1.76g/cm³
• LogP: 0.37990
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 223.9658555
• Heavy Atom Count: 13
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl

Technology Process of 6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

There total 2 articles about 6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride 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: 82.0%

6-Methyluracil (626-48-2) → 6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidinyl-5-sulfochloride (6461-30-9)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; Heating;

DOI:10.1134/S1070427206040240

Reference yield:

→ 6-Mehyl-uracil-5-sulfonsaeure-chlorid (6461-30-9)

Guidance literature:

6-Methyl-uracil, ClSO3H <110 - 115grad> (22percent Ausbeute);

DOI:10.1021/jo01068a058

Reference yield:

dapsone (80-08-0) + 6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidinyl-5-sulfochloride (6461-30-9) → 4,4'-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidinyl-5-sulfonylamido)diphenylsulfone + p,p'-(2,4-dioxo-6-methyl-1,2,3,4-tetrahydropyrimidyl-5-sulfonamido)diphenylsulfone

Guidance literature:

With triethylamine; In acetonitrile; for 45h; Heating;

DOI:10.1007/BF02524582

upstream raw materials:

6-Methyluracil

Refernces

• 1、 Pogorelova,Orlov,Isak. "Synthesis of 6-methyluracil-5-sulfonyl chloride". . p. 631 - 633. Retrieved 2008/02/05.