2,4(1H,3H)-Quinazolinedione, 1,3-dimethyl-

Base Information

• Chemical Name: 2,4(1H,3H)-Quinazolinedione, 1,3-dimethyl-
• CAS No.: 1013-01-0
• Molecular Formula: C10H10 N2 O2
• Molecular Weight: 190.2
• Hs Code.: 2933990090
• European Community (EC) Number: 634-433-7
• NSC Number: 401054
• UNII: 9TU836F3ZU
• DSSTox Substance ID: DTXSID00143825
• Nikkaji Number: J48.179C
• Wikidata: Q83007835
• Mol file: 1013-01-0.mol

Synonyms:1,3-diMe-2,4-quinazolinedione;1,3-dimethyl-2,4-(1H,3H)-quinazolinedione

Chemical Property of 2,4(1H,3H)-Quinazolinedione, 1,3-dimethyl-

Chemical Property:

• Vapor Pressure: 0.000411mmHg at 25°C
• Boiling Point: 316.4°C at 760 mmHg
• Flash Point: 142.7°C
• PSA: 44.00000
• Density: 1.256g/cm³
• LogP: 0.23720
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dimethylquinazoline-2,4(1H,3H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=O)N(C1=O)C

Technology Process of 2,4(1H,3H)-Quinazolinedione, 1,3-dimethyl-

There total 27 articles about 2,4(1H,3H)-Quinazolinedione, 1,3-dimethyl- 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: 100.0%

2-(1,3-dimethyl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-ylidene)-1,3-dimethyl-1,2,3,4-tetrahydroquinazolin-4-one (1359843-18-7) → 1,3-dimethyl-1H-quinazoline-2,4-dione (1013-01-0)

Guidance literature:

With oxygen; In chloroform-d1;

DOI:10.1039/c2ob06926a

Reference yield: 91.0%

methyl bromide (74-83-9) + 1,2,3,4-tetrahydro-quinazoline-2,4-dione (86-96-4) → 1,3-dimethyl-1H-quinazoline-2,4-dione (1013-01-0)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; at 20 ℃; for 6h;

Reference yield: 90.0%

N,N'-Dimethylurea (96-31-1) + 2-bromobenzoic acid methyl ester (610-94-6) → 1,3-dimethyl-1H-quinazoline-2,4-dione (1013-01-0)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 24h;

DOI:10.1021/ol062009x

upstream raw materials:

diazomethane

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

O-methylcaprolactim

dimethyl sulfate

Downstream raw materials:

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride

C₁₇H₁₄N₂O₃

C₁₈H₁₆N₂O₃

C₁₈H₁₆N₂O₄