N-(1-phenylethyl)urea

Base Information

• Chemical Name: N-(1-phenylethyl)urea
• CAS No.: 16849-91-5
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2924299090
• NSC Number: 99137
• DSSTox Substance ID: DTXSID20938013
• Nikkaji Number: J1.195.508H
• Mol file: 16849-91-5.mol

Synonyms:alpha-(N-1-phenethyl)urea

Chemical Property of N-(1-phenylethyl)urea

Chemical Property:

• Vapor Pressure: 0.00347mmHg at 25°C
• Melting Point: 118-120 °C
• Boiling Point: 281.9 °C at 760 mmHg
• PKA: 13.41±0.46(Predicted)
• Flash Point: 124.3 °C
• PSA: 55.12000
• Density: 1.101 g/cm³
• LogP: 2.50710
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

(R)-1-(1-Phenylethyl)urea 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)N

Technology Process of N-(1-phenylethyl)urea

There total 10 articles about N-(1-phenylethyl)urea 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: 97.0%

potassium cyanate (590-28-3) + (R)-1-phenyl-ethyl-amine (3886-69-9) → (R)-(+)-N-α-methylbenzylurea (16849-91-5)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 1h;

Reference yield: 92.0%

(R)-1-phenyl-ethyl-amine (3886-69-9) + urea (57-13-6) → (R)-(+)-N-α-methylbenzylurea (16849-91-5)

Guidance literature:

With nano-Fe₃O₄-supported sulfonic acid; In neat (no solvent); at 120 ℃; for 2h; Green chemistry;

DOI:10.1055/s-0036-1588319

Reference yield: 92.0%

morpholine-4-carboxylic acid amide (2158-02-3) + (R)-1-phenyl-ethyl-amine (3886-69-9) → (R)-(+)-N-α-methylbenzylurea (16849-91-5)

Guidance literature:

With nano-Fe₃O₄-supported sulfonic acid; In neat (no solvent); at 120 ℃; for 2h; chemoselective reaction; Green chemistry;

DOI:10.1055/s-0036-1588319

upstream raw materials:

(1R)-1-phenylethyl isocyanate

potassium cyanate

(R)-1-phenyl-ethyl-amine

nitrourea

Downstream raw materials:

3-(R)-(+)-α-methylbenzylbarbituric acid

(4S)-4-(3,4-Difluorophenyl)-5,5-dimethyl-3-[(4'-(4-fluorophenyl)-piperidin-1'-yl)propyl]aminocarbonyltetrahydropyrimidin-2-one Hydrochloride

C₂₃H₃₀N₂O₁₀

10-Butyl-3-((R)-1-phenyl-ethyl)-5,10-dihydro-1H-pyrimido[4,5-b]quinoline-2,4-dione

Refernces

• 1、 Lim, Jongwon,Kelley, Elizabeth H.,Methot, Joey L.,Zhou, Hua,Petrocchi, Alessia,Chen, Hongmin,Hill, Susan E.,Hinton, Marlene C.,Hruza, Alan,Jung, Joon O.,Maclean, John K. F.,Mansueto, My,Naumov, George N.,Philippar, Ulrike,Raut, Shruti,Spacciapoli, Peter,Sun, Dongyu,Siliphaivanh, Phieng. "Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers". . p. 6501 - 6511. Retrieved 2016.
• 2、 Wu, Fan,Alom, Nur-E,Ariyarathna, Jeewani P.,Na?, Johannes,Li, Wei. "Regioselective Formal [3+2] Cycloadditions of Urea Substrates with Activated and Unactivated Olefins for Intermolecular Olefin Aminooxygenation". supporting information. p. 11676 - 11680. Retrieved 2019/07/31.
• 3、 Kothandapani, Jagatheeswaran,Ganesan, Asaithampi,Ganesan, Subramaniapillai Selva. "Nano-Magnetic Sulfonic Acid Catalyzed Facile Synthesis of Diverse Amide Derivatives". . p. 685 - 692. Retrieved 2017/01/25.