(2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-N-phenylbutanamide

Base Information

• Chemical Name: (2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-N-phenylbutanamide
• CAS No.: 30299-49-1
• Molecular Formula: C₁₈H₁₉N₃O₂
• Molecular Weight: 309.368
• DSSTox Substance ID: DTXSID90509234
• Mol file: 30299-49-1.mol

Synonyms:30299-49-1;DTXSID90509234;(2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-N-phenylbutanamide

Chemical Property of (2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-N-phenylbutanamide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 309.147726857
• Heavy Atom Count: 23
• Complexity: 445

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=NC1=CC=C(C=C1)N(C)C)C(=O)NC2=CC=CC=C2

Technology Process of (2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-N-phenylbutanamide

There total 2 articles about (2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-N-phenylbutanamide 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: 63.0%

N-phenylacetoacetamide (102-01-2,98624-45-4) + p-dimethylaminonitrosobenzene (138-89-6) → 2-methyl-3-anilido-4-p-N,N-dimethylaminophenyl-1-oxa-4-azabutadiene (30299-49-1)

Guidance literature:

With potassium tert-butylate; In butan-1-ol;

DOI:10.1016/0040-4020(82)80251-2

Reference yield:

→ 2-methyl-3-anilido-4-p-N,N-dimethylaminophenyl-1-oxa-4-azabutadiene (30299-49-1)

Guidance literature:

Acetessigsaeure-anilid, p-Nitroso-N,N-dimethyl-anilin (NDA), konz. wss. KOH (wenig), in A.;

Reference yield: 76.0%

2-methyl-3-anilido-4-p-N,N-dimethylaminophenyl-1-oxa-4-azabutadiene (30299-49-1) + 4-Nitrophenyl isocyanate (100-28-7) → 1-(4'-N,N-dimethylaminophenyl)-3-(4'-nitrophenyl)-5-methyl-5-phenylamido-imidazolidin-2,4-dione

Guidance literature:

In toluene; for 4h; Heating;

DOI:10.1007/BF00798409

upstream raw materials:

N-phenylacetoacetamide

p-dimethylaminonitrosobenzene

Downstream raw materials:

1-(4'-N,N-dimethylaminophenyl)-3-phenyl-5-methyl-5-phenylamido-imidazolidin-2,4-dione