Butylphenylurea

Base Information

• Chemical Name: Butylphenylurea
• CAS No.: 62641-29-6
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• DSSTox Substance ID: DTXSID80876543
• Wikidata: Q82858196
• Mol file: 62641-29-6.mol

Synonyms:62641-29-6;Butylphenylurea;Urea, N-butyl-N-phenyl-;Urea, 1-butyl-1-phenyl-;BRN 2969393;N-n-butyl-N-phenylurea;SCHEMBL1506356;UREA, N-BUTYL-N-PHENYL;DTXSID80876543

Chemical Property of Butylphenylurea

Chemical Property:

• Vapor Pressure: 0.000837mmHg at 25°C
• Boiling Point: 305.1°Cat760mmHg
• Flash Point: 138.3°C
• PSA: 0.00000
• Density: 1.081g/cm³
• LogP: 0.81930
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

1-BUTYL-1-PHENYL-UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butylphenylurea

There total 3 articles about Butylphenylurea 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: 68.0%

C12H14N2OS → 1-isopropyl-1-phenylurea (62641-29-6)

Guidance literature:

With 1H-imidazole; hydroxylamine hydrochloride; In ethanol; at 20 ℃; for 3h;

DOI:10.1016/j.cclet.2014.10.015

Reference yield:

nitrourea (556-89-8) + N-(n-butyl)aniline (1126-78-9) → 1-isopropyl-1-phenylurea (62641-29-6)

Guidance literature:

With ethanol;

DOI:10.1021/ja01296a501

Reference yield:

→ 1-isopropyl-1-phenylurea (62641-29-6)

Guidance literature:

N-Butyl-anilin, Nitroharnstoff;

upstream raw materials:

nitrourea

N-(n-butyl)aniline

Refernces

• 1、 Tang, Wen-Yuan,Guo, Jing-Jing,Gui, Xing-Xing,Han, De-Man,Li, Jian-Jun. "An efficient synthesis of imidodicarbonic diamides from 1,3-thiazetidin-2-ones with NH2OH·HCl via ring-opening reaction". . p. 85 - 88. Retrieved 2015/01/30.