1-Butyl-3-phenylurea

Base Information

• Chemical Name: 1-Butyl-3-phenylurea
• CAS No.: 3083-88-3
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• European Community (EC) Number: 653-447-4
• NSC Number: 94791
• DSSTox Substance ID: DTXSID30953030
• Nikkaji Number: J617.483C
• Wikidata: Q82931788
• Mol file: 3083-88-3.mol

Synonyms:1-Butyl-3-phenylurea;3083-88-3;Urea, N-butyl-N'-phenyl-;N-Butyl-N'-phenylurea;3-butyl-1-phenylurea;butyl-3-phenylurea;NSC94791;1-phenyl-3-butyl urea;N-Butyl-N'-phenylurea #;SCHEMBL4604785;DTXSID30953030;N'-Butyl-N-phenylcarbamimidic acid;NSC 94791;NSC-94791;STK364611;AKOS001298006;AE-641/00577044;Z44586336

Chemical Property of 1-Butyl-3-phenylurea

Chemical Property:

• Vapor Pressure: 0.00289mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 284.9 °C at 760 mmHg
• Flash Point: 106.9 °C
• Density: 1.063g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Butyl-3-phenylurea

There total 48 articles about 1-Butyl-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: 99.0%

allyl N-phenylcarbamate (18992-89-7) + N-butylamine (109-73-9,85404-21-3) → N-butyl-N'-phenylurea (3083-88-3)

Guidance literature:

With trimethylaluminum; In toluene; at 50 ℃; for 0.5h;

DOI:10.1016/j.tet.2004.02.034

Reference yield: 96.0%

2,2,2-trichloroethyl-N-phenyl carbamate (42864-21-1) + N-butylamine (109-73-9,85404-21-3) → N-butyl-N'-phenylurea (3083-88-3)

Guidance literature:

With lanthanum(lll) triflate; at 70 ℃; for 12h; Inert atmosphere;

DOI:10.1055/s-0040-1707991

Reference yield: 96.0%

carbon monoxide (201230-82-2) + lithium anilide (20732-26-7,82959-02-2) + N-butylamine (109-73-9,85404-21-3) → N-butyl-N'-phenylurea (3083-88-3)

Guidance literature:

carbon monoxide; N-butylamine; With selenium; sulfur; In tetrahydrofuran; at 20 ℃; for 6h; under 760 Torr;

With methyl iodide; In tetrahydrofuran; at 20 ℃;

lithium anilide; In tetrahydrofuran; for 4h; Heating;

DOI:10.1080/00397910008087206

upstream raw materials:

N-but-3-enyl-N'-phenyl-urea

phenyl N-phenylcarbamate

N-butylamine

3-nitro-benzaldehyde-(O-phenylcarbamoyl-seqtrans-oxime )

Downstream raw materials:

N-butylcarbamoyl-sulfanilyl chloride

N-phenyl-N'-(n-butyl)carbodiimide

N-butylamine

aniline

Refernces

• 1、 Tran, Van Hieu,Kim, Hee-Kwon. "CaI2-Catalyzed direct transformation of: N -Alloc-, N -Troc-, and N -Cbz-protected amines to asymmetrical ureas". . p. 14093 - 14101. Retrieved 2019/09/18.
• 2、 Mozaffari, Mozhdeh,Nowrouzi, Najmeh. "Palladium-Catalyzed Synthesis of Symmetrical and Unsymmetrical Ureas Using Chromium Hexacarbonyl as a Convenient and Safe Alternative Carbonyl Source". supporting information. p. 7541 - 7544. Retrieved 2019/12/12.