1,1-Diphenylurea

Base Information

• Chemical Name: 1,1-Diphenylurea
• CAS No.: 603-54-3
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• European Community (EC) Number: 210-048-6
• NSC Number: 8715
• UNII: H33D27I551
• DSSTox Substance ID: DTXSID7025184
• Nikkaji Number: J6.809H
• Wikidata: Q27279576
• ChEMBL ID: CHEMBL169502
• Mol file: 603-54-3.mol

Synonyms:1,1-Diphenylurea;Diphenyl urea;N,N-Diphenylurea;Urea, diphenyl-;Urea, N,N-diphenyl-;ASYM-DIPHENYLUREA;603-54-3;Urea, 1,1-diphenyl-;CCRIS 4635;NSC 8715;EINECS 210-048-6;AI3-61314;26763-63-3;UNII-H33D27I551;NSC-8715;H33D27I551;1,1diphenylurea;Urea,N-diphenyl-;Urea,1-diphenyl-;1,1-Diphenyl-urea;N,N-Diphenylurea #;N',N'-diphenyl-urea;SCHEMBL75885;DIPHENYLUREA, 1,1-;CHEMBL169502;DTXSID7025184;NSC8715;LS-1439;Q27279576

Chemical Property of 1,1-Diphenylurea

Chemical Property:

• Melting Point: 189°C
• Refractive Index: 1.6920 (estimate)
• Boiling Point: 358.7°Cat760mmHg
• PKA: 15.11±0.50(Predicted)
• Flash Point: 170.7°C
• PSA: 46.33000
• Density: 1.214g/cm³
• LogP: 3.60370
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

1,1-DIPHENYLUREA 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1-Diphenylurea

There total 332 articles about 1,1-Diphenylurea 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:

ethanol (64-17-5) + 4-nitrophenyl-N-phenyl carbamate (6320-72-5) + furan-2,3,5(4H)-trione pyridine (1:1) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N,N-diphenylurea (603-54-3)

Guidance literature:

Reference yield:

benzylidene phenylamine (538-51-2) + phenyl isocyanate (103-71-9) → N,N-diphenylurea (603-54-3) + benzaldehyde (100-52-7)

Guidance literature:

at 180 - 200 ℃; im Rohr anschliessende Wasserdampfdestillation;

Reference yield:

(Z)-benzaldehyde-(O-phenylcarbamoyl oxime ) (91737-49-4) + furan-2,3,5(4H)-trione pyridine (1:1) → syn-benzaldehyde oxime (932-90-1,622-31-1,140461-24-1,140461-25-2,622-32-2) + N,N-diphenylurea (603-54-3) + benzonitrile (100-47-0) + aniline (62-53-3)

Guidance literature:

upstream raw materials:

4,5-dihydro-oxazol-2-ylamine

aniline

5-amino-3,4-dimethylisoxazol

5-(chloromethyl)-1,3-oxazolidin-2-one

Downstream raw materials:

phenyl N-phenylcarbamate

1-ethyl-1,3-diphenyl urea

N,N'-diphenyladipamide

bis-N,N'-(4-nitrophenyl)urea

Refernces

• 1、 -. "Process for preparing n,n'-disubstituted urea using selenium-based catalyst". . . Retrieved 2008/06/13.
• 2、 -. "Method of treating the symptoms of senile cognitive decline employing di- or trisubstituted urea cholinergic agents". . . Retrieved 2008/06/13.