1-Ethyl-3-phenylurea

Base Information

• Chemical Name: 1-Ethyl-3-phenylurea
• CAS No.: 621-04-5
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2924299090
• European Community (EC) Number: 623-064-7
• NSC Number: 46782
• UNII: 90O3F38DTW
• DSSTox Substance ID: DTXSID90211143
• Nikkaji Number: J9.445E
• Wikidata: Q83085998
• ChEMBL ID: CHEMBL3235061
• Mol file: 621-04-5.mol

Synonyms:1-Ethyl-3-phenylurea;621-04-5;Urea, N-ethyl-N'-phenyl-;N-Phenyl-N'-ethylurea;UREA, 1-ETHYL-3-PHENYL-;N-Ethyl-N'-phenylurea;NSC 46782;BRN 2087534;90O3F38DTW;CHEMBL3235061;NSC-46782;3-ethyl-1-phenylurea;NSC46782;1-phenyl-3-ethylurea;UNII-90O3F38DTW;SCHEMBL340246;DTXSID90211143;BDBM50006452;MFCD00026696;STK083139;AKOS001303461;LS-160208;CS-0298621;FT-0607754;Z44586347

Chemical Property of 1-Ethyl-3-phenylurea

Chemical Property:

• Vapor Pressure: 0.0219mmHg at 25°C
• Boiling Point: 250.2°C at 760 mmHg
• Flash Point: 102°C
• PSA: 41.13000
• Density: 1.11g/cm³
• LogP: 2.29190
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-3-phenylurea ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCNC(=O)NC1=CC=CC=C1

Technology Process of 1-Ethyl-3-phenylurea

There total 24 articles about 1-Ethyl-3-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: 98.0%

phenyl isocyanate (103-71-9) + ethylamine (75-04-7,85404-22-4) → 1-ethyl-3-phenylurea (621-04-5)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2018.08.028

Reference yield: 91.0%

1-ethyl-3-phenylthiourea (2741-06-2) → 1-ethyl-3-phenylurea (621-04-5)

Guidance literature:

With potassium superoxide; ortho-nitrobenzene sulfonyl chloride; In acetonitrile; at -35 ℃; for 5.5h;

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

Reference yield: 90.0%

iodobenzene (591-50-4) + carbon monoxide (201230-82-2) + ethylamine (75-04-7,85404-22-4) → 1-ethyl-3-phenylurea (621-04-5)

Guidance literature:

With sodium azide; In 1,4-dioxane; at 60 ℃; for 12h; under 760.051 Torr;

DOI:10.1002/ejoc.201901140

upstream raw materials:

1,3-diphenylcarbamothioate

ethylamine

ethyl-carbamoyl azide

aniline

Downstream raw materials:

6-amino-3-ethyl-1-phenyluracil

benodanil

1-ethyl-3-phenylquinazoline-2,4(1H,3H)-dione

N-((ethylimino)methylene)aniline

Refernces

• 1、 Inaloo, Iman Dindarloo,Majnooni, Sahar. "A Fe3O4?SiO2/Schiff Base/Pd Complex as an Efficient Heterogeneous and Recyclable Nanocatalyst for One-Pot Domino Synthesis of Carbamates and Unsymmetrical Ureas". . p. 6359 - 6368. Retrieved 2019/11/05.
• 2、 -. "A synthetic N, N '-di-substituted ureas method". Paragraph 0075-0078. . Retrieved 2016/11/17.