Butanamide, N-[4-(acetylamino)phenyl]-3-oxo-

Base Information

• Chemical Name: Butanamide, N-[4-(acetylamino)phenyl]-3-oxo-
• CAS No.: 4433-78-7
• Molecular Formula: C12H14 N2 O3
• Molecular Weight: 234.255
• Hs Code.: 2924299090
• European Community (EC) Number: 224-637-0
• NSC Number: 109485
• UNII: 6VB5GYV1RI
• DSSTox Substance ID: DTXSID4063456
• Nikkaji Number: J37.698A
• Wikidata: Q81990749
• Mol file: 4433-78-7.mol

Synonyms:4433-78-7;n-(4-acetamidophenyl)-3-oxobutanamide;N-[4-(acetylamino)phenyl]-3-oxobutanamide;Butanamide, N-[4-(acetylamino)phenyl]-3-oxo-;p-Acetamidoacetoacetanilide;4-(Acetoacetylamino)acetanilide;Acetoacetanilide, 4'-acetamido-;4'-Acetamidoacetoacetanilide;4'-Acetamido-3-oxobutanilide;6VB5GYV1RI;Butanamide, N-(4-(acetylamino)phenyl)-3-oxo-;EINECS 224-637-0;NSC 109485;NSC-109485;N-(4-(Acetylamino)phenyl)-3-oxobutyramide;N-(4-(ACETYLAMINO)PHENYL)-3-OXOBUTANAMIDE;N-[4-(ACETYLAMINO)PHENYL]-3-OXOBUTYRAMIDE;NSC109485;UNII-6VB5GYV1RI;CBMicro_045177;4-Acetoacetamidoacetanilide;Butanamide,n-[4-(acetylamino)phenyl]-3-oxo-;SCHEMBL6204592;DTXSID4063456;MFCD00035810;N-(4-Acetylaminophenyl)acetoacetamide;AKOS000164893;LS-07911;BIM-0045120.P001;N-(4-ACETAMIDOPHENYL)ACETOACETAMIDE;CS-0320033;SR-01000227302;N-(4-(ACETYLAMINO)PHENYL)-3-OXO-BUTANAMIDE;SR-01000227302-1;N-ACETOACETYL-N'-ACETYL-1,4-PHENYLENEDIAMINE;6091-01-6

Chemical Property of Butanamide, N-[4-(acetylamino)phenyl]-3-oxo-

Chemical Property:

• Vapor Pressure: 1.7E-11mmHg at 25°C
• Boiling Point: 534.4°Cat760mmHg
• Flash Point: 228°C
• PSA: 75.27000
• Density: 1.261g/cm³
• LogP: 1.70860
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 234.10044231
• Heavy Atom Count: 17
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

N-[4-(Acetylamino)phenyl]-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NC1=CC=C(C=C1)NC(=O)C

Technology Process of Butanamide, N-[4-(acetylamino)phenyl]-3-oxo-

There total 4 articles about Butanamide, N-[4-(acetylamino)phenyl]-3-oxo- 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: 76.0%

ethyl acetoacetate (141-97-9) + N-acetyl-p-phenylenediamine (122-80-5) → N-(4-acetamidophenyl)-3-oxobutanamide (4433-78-7)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; In acetonitrile; at 80 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1016/j.tetlet.2020.152535

Reference yield: 76.0%

acetoacetic acid methyl ester (105-45-3) + N-acetyl-p-phenylenediamine (122-80-5) → N-(4-acetamidophenyl)-3-oxobutanamide (4433-78-7)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; In acetonitrile; at 80 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1016/j.tetlet.2020.152535

Reference yield: 75.0%

allyl acetoacetate (1118-84-9) + N-acetyl-p-phenylenediamine (122-80-5) → N-(4-acetamidophenyl)-3-oxobutanamide (4433-78-7)

Guidance literature:

With 1,1,1,3',3',3'-hexafluoro-propanol; In acetonitrile; at 80 ℃; for 12h; Sealed tube; Green chemistry;

DOI:10.1016/j.tetlet.2020.152535

upstream raw materials:

1-methyl-2-nitrobenzene

ethyl acetoacetate

N-acetyl-p-phenylenediamine

acetoacetic acid methyl ester

Downstream raw materials:

C₂₂H₂₅N₅O₃

Refernces

• 1、 Saudi,El-Semary,Elbayaa,Jaeda,Eissa,Amer,Baddour. "Synthesis and biological evaluation of a novel class as antileishmanial agent". experimental part. p. 257 - 267. Retrieved 2012/09/05.