3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

Base Information

• Chemical Name: 3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
• CAS No.: 5878-08-0
• Molecular Formula: C₁₀H₁₄O₃S
• Molecular Weight: 214.285
• DSSTox Substance ID: DTXSID70974305
• Wikidata: Q82958550
• ChEMBL ID: CHEMBL1501442

Synonyms:3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile;MLS001212659;SMR000514701;3-Methyl-1-methylamino-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile;5878-08-0;Oprea1_069507;Oprea1_724816;cid_767452;SCHEMBL2163357;CHEMBL1501442;DTXSID70974305;BDBM100100;HMS2840F23;SMSF0009045;STK835947;AKOS000545811;CB00895;AB00100101-01;3-methyl-1-(methylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile

Chemical Property of 3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 236.106196400
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC)C#N

Technology Process of 3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

There total 3 articles about 3-Methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile 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:

cis-3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiazolidinone (84370-55-8) → Benzylsulfonsaeureisopropylester (5878-08-0) + N-benzyl-N-methylpropionamide (34317-21-0) + cis-1,3-dimethyl-4-phenyl-2-azetidinone (4458-61-1) + trans-1,3-dimethyl-4-phenyl-2-azetidinone (4458-60-0)

Guidance literature:

In isopropyl alcohol; for 0.666667h; Title compound not separated from byproducts; Irradiation;

DOI:10.1021/jo00152a017

Reference yield:

cis-3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiazolidinone (84370-55-8) + isopropyl alcohol (67-63-0,8013-70-5) → Benzylsulfonsaeureisopropylester (5878-08-0) + N-benzyl-N-methylpropionamide (34317-21-0) + cis-1,3-dimethyl-4-phenyl-2-azetidinone (4458-61-1) + trans-1,3-dimethyl-4-phenyl-2-azetidinone (4458-60-0)

Guidance literature:

In isopropyl alcohol; for 0.666667h; Title compound not separated from byproducts; Irradiation;

DOI:10.1021/jo00152a017

Reference yield:

→ Benzylsulfonsaeureisopropylester (5878-08-0)

Guidance literature:

PhCHN2, SO2 in Isopropanol, Pyridin (auch andere Basen wurden verw. s. Tab.);

DOI:10.1039/c39750000052

upstream raw materials:

cis-3,5-dimethyl-1,1-dioxo-2-phenyl-4-thiazolidinone

isopropyl alcohol

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