1-Ethyl-1,3-diphenylurea

Base Information

• Chemical Name: 1-Ethyl-1,3-diphenylurea
• CAS No.: 64544-71-4
• Molecular Formula: C15H16 N2 O
• Molecular Weight: 240.305
• Hs Code.: 2924299090
• European Community (EC) Number: 264-940-5
• NSC Number: 158960
• DSSTox Substance ID: DTXSID10214818
• Nikkaji Number: J307.250I
• Wikidata: Q83090726
• ChEMBL ID: CHEMBL1393651
• Mol file: 64544-71-4.mol

Synonyms:1-Ethyl-1,3-diphenylurea;64544-71-4;N-ethyl-N,N'-diphenylurea;MLS000704252;EINECS 264-940-5;SMR000228796;NSC158960;N,N'-diphenyl-N-ethylurea;Cambridge id 5229658;TimTec1_005031;1-ethyl-1,3-diphenyl-urea;cid_98685;F3145-3858;SCHEMBL4304223;CHEMBL1393651;BDBM73524;DTXSID10214818;HMS1548E15;STK100432;AKOS000494119;NSC 158960;NSC-158960;NCGC00247228-01;AB00567273-06;AN-329/41583459;SR-01000199728;SR-01000199728-1

Chemical Property of 1-Ethyl-1,3-diphenylurea

Chemical Property:

• Vapor Pressure: 2.26E-07mmHg at 25°C
• Boiling Point: 423.3°C at 760 mmHg
• Flash Point: 209.8°C
• PSA: 32.34000
• Density: 1.172g/cm³
• LogP: 3.81800
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.126263138
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

N-ethyl-N,N'-diphenylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Ethyl-1,3-diphenylurea

There total 13 articles about 1-Ethyl-1,3-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: 88.0%

N,N'-diphenyl-N-ethylthiourea (15093-51-3) → 1-ethyl-1,3-diphenyl urea (64544-71-4)

Guidance literature:

With potassium superoxide; ortho-nitrobenzene sulfonyl chloride; In acetonitrile; at -35 ℃; for 6.5h;

DOI:10.1016/S0040-4039(00)98517-4

Reference yield: 85.0%

N-ethyl-N-phenylamine (103-69-5) + 3-phenyl-5H-1,4,2-dioxazol-5-one (19226-36-9) → 1-ethyl-1,3-diphenyl urea (64544-71-4)

Guidance literature:

With 2,2,2-trifluoroethanol; at 50 ℃; for 18h;

DOI:10.1080/00397911.2021.1983605

Reference yield: 84.0%

N-fluoro-N-(phenylsulfonyl)benzamide + N-ethyl-N-phenylamine (103-69-5) → 1-ethyl-1,3-diphenyl urea (64544-71-4)

Guidance literature:

With dmap; potassium carbonate; In tetrahydrofuran; at 50 ℃; for 12h; Temperature; Solvent; Reagent/catalyst; Mechanism;

DOI:10.1002/ejoc.201901602

upstream raw materials:

diethyl sulfate

N,N-diphenylurea

phenyl isocyanate

N-ethyl-N-phenylamine

Downstream raw materials:

1-ethyl-1,3-bis(4-nitrophenyl)urea

phenyl isocyanate

N-ethyl-N-phenylamine

Refernces

• 1、 Zhao, Yi-Xiao,Xie, Tian,Yang, San-Ke,Yang, Xian-Jin. "A Novel C–N Migration Rearrangement Based on N–F Compounds for the Synthesis of N-Alkyl Diaryl Ureas". . p. 437 - 445. Retrieved 2020/01/22.
• 2、 Yoshimitsu, Takehiko,Matsuda, Kenichi,Nagaoka, Hiroto,Tsukamoto, Koji,Tanaka, Tetsuaki. "Radical fixation of functionalized carbon resources: α-sp 3C - H carbamoylation of tertiary amines with aryl isocyanates". . p. 5115 - 5118. Retrieved 2008/03/28.