1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride

Base Information

• Chemical Name: 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride
• CAS No.: 773877-44-4
• Molecular Formula: C10H9ClN2O4S
• Molecular Weight: 288.711
• Hs Code.: 2933990090
• European Community (EC) Number: 859-908-8
• DSSTox Substance ID: DTXSID20424603

Synonyms:773877-44-4;1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride;1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride;1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonyl chloride;SCHEMBL17832062;DTXSID20424603;MFCD07789060;1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonyl chloride;AKOS000505617;BS-38460;FT-0703728;EN300-265417;A839081;F1905-6573;1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonylchloride;1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonyl chloride, AldrichCPR;1,3-dimethyl-2,4-dioxo-quinazoline-6-sulfonyl chloride

Chemical Property of 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride

Chemical Property:

• PSA: 86.52000
• LogP: 1.24550
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 287.9971556
• Heavy Atom Count: 18
• Complexity: 487

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)C(=O)N(C1=O)C

Technology Process of 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride

There total 3 articles about 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-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: 74.0%

1,3-dimethyl-1H-quinazoline-2,4-dione (1013-01-0) → 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride (773877-44-4)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1007/s10593-008-0048-y

Reference yield: 74.0%

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid (1134967-52-4) → 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride (773877-44-4)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1007/s10593-008-0048-y

Reference yield:

glycosmicine (604-50-2) → 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride (773877-44-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium carbonate / 1,4-dioxane / 24 h / 20 °C

2: chlorosulfonic acid

With chlorosulfonic acid; sodium carbonate; In 1,4-dioxane;

DOI:10.1039/c7cc07582k

upstream raw materials:

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid

1,3-dimethyl-1H-quinazoline-2,4-dione

glycosmicine

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