10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione

Base Information

• Chemical Name: 10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
• CAS No.: 27132-53-2
• Molecular Formula: C12H9N3O2
• Molecular Weight: 227.22
• NSC Number: 106927
• DSSTox Substance ID: DTXSID90296016
• Nikkaji Number: J690.707E
• Wikidata: Q82036312
• ChEMBL ID: CHEMBL228772
• Mol file: 27132-53-2.mol

Synonyms:10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione;27132-53-2;10-methylpyrimido[4,5-b]quinoline-2,4-dione;MLS002703948;CHEMBL228772;NSC106927;Oprea1_590946;SCHEMBL3834002;DTXSID90296016;BDBM50438881;AKOS015850927;NSC-106927;SMR001570660;AM20051024;CS-0358069;FT-0734845

Chemical Property of 10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione

Chemical Property:

• Melting Point: 359℃ (acetic acid water )
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 227.069476538
• Heavy Atom Count: 17
• Complexity: 453

Purity/Quality:

97% ^*data from raw suppliers

10-Methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C=C3C1=NC(=O)NC3=O

Technology Process of 10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione

There total 4 articles about 10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 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: 91.0%

C13H11N3SO (948578-68-5) → 10-Methyl-5-deaza-iso-alloxazin (27132-53-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/j.bmc.2007.06.058

Reference yield: 70.0%

2-amino-4-chloro-6-[methyl(phenyl)amino]pyrimidine-5-carbaldehyde (1033542-88-9) → 10-Methyl-5-deaza-iso-alloxazin (27132-53-2)

Guidance literature:

With acetic acid; at 299.84 ℃; for 0.25h; Microwave irradiation;

DOI:10.1016/j.tetlet.2009.12.114

Reference yield: 48.0%

6-(methylamino)pyrimidine-2,4(1H,3H)-dione (34284-87-2) + 2-Fluorobenzaldehyde (446-52-6) → 10-Methyl-5-deaza-iso-alloxazin (27132-53-2)

Guidance literature:

In N,N-dimethyl-formamide; for 4h; Reflux;

DOI:10.1016/j.bmc.2013.09.038

upstream raw materials:

C₁₃H₁₁N₃SO

2-amino-4-chloro-6-[methyl(phenyl)amino]pyrimidine-5-carbaldehyde

6-(methylamino)pyrimidine-2,4(1H,3H)-dione

2-Fluorobenzaldehyde

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