N-(3-acetylphenyl)-N'-phenylurea

Base Information

• Chemical Name: N-(3-acetylphenyl)-N'-phenylurea
• CAS No.: 42865-77-0
• Molecular Formula: C15H14 N2 O2
• Molecular Weight: 254.288
• Hs Code.: 2924299090
• NSC Number: 164417
• DSSTox Substance ID: DTXSID30304169
• Wikidata: Q82049906
• ChEMBL ID: CHEMBL1602689
• Mol file: 42865-77-0.mol

Synonyms:1-(3-acetylphenyl)-3-phenylurea;42865-77-0;N-(3-acetylphenyl)-N'-phenylurea;3-(3-acetylphenyl)-1-phenylurea;MFCD00171015;NSC164417;Cambridge id 5147706;CBDivE_004214;MLS001194842;SCHEMBL4918597;CHEMBL1602689;DTXSID30304169;HMS2854B07;STK062503;AKOS000192909;MS-6728;NSC 164417;NSC-164417;SMR000554752;CS-0323205;SR-01000405661;SR-01000405661-1;Z44602841

Chemical Property of N-(3-acetylphenyl)-N'-phenylurea

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Boiling Point: 334.8°C at 760 mmHg
• PKA: 14.05±0.70(Predicted)
• Flash Point: 116.4°C
• PSA: 58.20000
• Density: 1.262g/cm³
• LogP: 3.67920
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 254.105527694
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

99%min ^*data from raw suppliers

1-(3-acetylphenyl)-3-phenylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2

Technology Process of N-(3-acetylphenyl)-N'-phenylurea

There total 1 articles about N-(3-acetylphenyl)-N'-phenylurea 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: 65.0%

1-(3-aminophenyl)ethanone (99-03-6) + phenyl isocyanate (103-71-9) → 3'-N-(N'-phenylurenyl)acetophenone (42865-77-0)

Guidance literature:

In acetone; at 20 ℃;

DOI:10.1021/jm058208o

Reference yield: 100.0%

4-methoxy-benzaldehyde (123-11-5) + 3'-N-(N'-phenylurenyl)acetophenone (42865-77-0) → 1-{3-[(E)-3-(4-Methoxy-phenyl)-acryloyl]-phenyl}-3-phenyl-urea

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/jm058208o

Reference yield: 98.0%

4-chlorobenzaldehyde (104-88-1) + 3'-N-(N'-phenylurenyl)acetophenone (42865-77-0) → 1-{3-[(E)-3-(4-Chloro-phenyl)-acryloyl]-phenyl}-3-phenyl-urea

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃;

DOI:10.1021/jm058208o

upstream raw materials:

1-(3-aminophenyl)ethanone

phenyl isocyanate

Refernces