4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

Base Information

• Chemical Name: 4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
• CAS No.: 87295-93-0
• Molecular Formula: C₁₄H₁₈N₄O
• Molecular Weight: 258.323
• Nikkaji Number: J57.949A
• Mol file: 87295-93-0.mol

Synonyms:4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benzodiazepin-2-one;87295-93-0;2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-3-((dimethylamino)methylene)-;4-(Dimetilammino)-3-((dimetilammino)metilen)-1,3-diidro-2H-1,5-benzodiazepin-2-oni [Italian];4-(Dimetilammino)-3-((dimetilammino)metilen)-1,3-diidro-2H-1,5-benzodiazepin-2-oni;LS-34283;1,3-Dihydro-4-(dimethylamino)-3-[(dimethylamino)methylene]-2H-1,5-benzodiazepin-2-one;4-(DIMETHYLAMINO)-3-((DIMETHYLAMINO)METHYLENE)-1,3-DIHYDRO-2H-1,5-BENZ ODIAZEPIN-2-ONE

Chemical Property of 4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

Chemical Property:

• PSA: 51.43000
• Density: 1.14g/cm³
• LogP: 1.19650
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 258.14806121
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C=C1C(=O)NC2=CC=CC=C2N=C1N(C)C
• Isomeric SMILES: CN(C)/C=C/1\C(=O)NC2=CC=CC=C2N=C1N(C)C

Technology Process of 4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

There total 1 articles about 4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benzodiazepin-2-one 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: 38.7%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2-(Dimethylamino)-1,3-dihydro-2H-1,5-benzodiazepin-2-one (62537-60-4) → 4-(dimetilammino)-3-<(dimetilammino)metilen>-1,3-diidro-2H-1,5-benzodiazepin-2-one (87295-93-0)

Guidance literature:

With phosphorus pentachloride; for 20h; Ambient temperature;

Reference yield: 61.5%

phenylhydrazine (100-63-0) + 4-(dimetilammino)-3-<(dimetilammino)metilen>-1,3-diidro-2H-1,5-benzodiazepin-2-one (87295-93-0) → 1-fenil-5,10-diidropirazolo<3,4-b><1,5>benzodiazepin-4(1H)-one

Guidance literature:

With acetic acid; In butan-1-ol; for 4h; Heating;

Reference yield: 23.4%

benzamidine monohydrochloride (1670-14-0) + 4-(dimetilammino)-3-<(dimetilammino)metilen>-1,3-diidro-2H-1,5-benzodiazepin-2-one (87295-93-0) → 2-fenil-6,11-diidro-5H-pirimido<4,5-b><1,5>benzodiazepin-5-one

Guidance literature:

With triethylamine; In butan-1-ol; for 24h; Heating;

upstream raw materials:

N,N-dimethyl-formamide

2-(Dimethylamino)-1,3-dihydro-2H-1,5-benzodiazepin-2-one