2,4-Dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride

Base Information

• Chemical Name: 2,4-Dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride
• CAS No.: 56044-12-3
• Molecular Formula: C8H5ClN2O4S
• Molecular Weight: 260.658
• Hs Code.: 2933990090
• European Community (EC) Number: 946-697-3
• DSSTox Substance ID: DTXSID80390310
• Wikidata: Q82186898
• Mol file: 56044-12-3.mol

Synonyms:56044-12-3;2,4-Dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride;2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride;2,4-dioxo-1H-quinazoline-6-sulfonyl chloride;SCHEMBL16033113;DTXSID80390310;MFCD07186482;6-chlorosulfonylquinazoline-2,4-dione;AKOS000118012;BS-14059;BB 0254009;FT-0677751;EN300-27701;F72106;F2158-1824;Z241743928;2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonylchloride;2,4-Dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonyl chloride, AldrichCPR

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

Chemical Property:

• Melting Point: 307-309 °C(Solv: heptane (142-82-5))
• PKA: 8.91±0.20(Predicted)
• PSA: 108.24000
• Density: 1.649±0.06 g/cm3(Predicted)
• LogP: 1.22470
• Sensitive.: Moisture Sensitive
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 259.9658555
• Heavy Atom Count: 16
• Complexity: 430

Purity/Quality:

98%min ^*data from raw suppliers

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: C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)NC(=O)N2
• Uses: 2,4-Dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonyl chloride is used as a reactant in the preparation prostaglandin agonists and their use to treat bone disorders.

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

There total 3 articles about 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: 95.0%

1,2,3,4-tetrahydro-quinazoline-2,4-dione (86-96-4) → 2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonylchloride (56044-12-3)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1039/c7cc07582k

Reference yield: 95.0%

1,2,3,4-tetrahydro-2,4-dioxoquinazoline-6-sulphonic acid → 2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonylchloride (56044-12-3)

Guidance literature:

With chlorosulfonic acid; at 50 - 60 ℃; for 2h;

DOI:10.1007/s10593-008-0048-y

Reference yield:

→ 2,4-dioxo-1,2,3,4-tetrahydro-quinazoline-6-sulfonylchloride (56044-12-3)

Guidance literature:

With chlorosulfonic acid; at 5 - 60 ℃; for 4h;

upstream raw materials:

1,2,3,4-tetrahydro-quinazoline-2,4-dione

Refernces

• 1、 Castellani, Beatrice,Diamanti, Eleonora,Pizzirani, Daniela,Tardia, Piero,Maccesi, Martina,Realini, Natalia,Magotti, Paola,Garau, Gianpiero,Bakkum, Thomas,Rivara, Silvia,Mor, Marco,Piomelli, Daniele. "Synthesis and characterization of the first inhibitor of: N -acylphosphatidylethanolamine phospholipase D (NAPE-PLD)". supporting information. p. 12814 - 12817. Retrieved 2017/12/06.