1-Benzyl-3-methylurea

Base Information

• Chemical Name: 1-Benzyl-3-methylurea
• CAS No.: 6957-05-7
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.207
• NSC Number: 69429
• DSSTox Substance ID: DTXSID90290554
• Nikkaji Number: J813.215A
• Wikidata: Q82028283
• Mol file: 6957-05-7.mol

Synonyms:1-benzyl-3-methylurea;6957-05-7;1-benzyl-3-methyl-urea;NSC69429;N-methyl-N'-benzylurea;N-methyl-N'-benzyl urea;SCHEMBL969258;DTXSID90290554;QNMWSLMZPATZTD-UHFFFAOYSA-N;NSC-69429;AKOS004093065

Chemical Property of 1-Benzyl-3-methylurea

Chemical Property:

• Vapor Pressure: 1.43E-05mmHg at 25°C
• Boiling Point: 366.7°Cat760mmHg
• Flash Point: 167.8°C
• Density: 1.069g/cm³
• XLogP3: 0.8
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)NCC1=CC=CC=C1

Technology Process of 1-Benzyl-3-methylurea

There total 15 articles about 1-Benzyl-3-methylurea 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: 89.0%

N-Methylformamide (123-39-7) + benzylamine (100-46-9) → N-methyl-N'-benzylurea (6957-05-7)

Guidance literature:

With [RuH(tBu-PNP(-))(CO)]; In monoethylene glycol diethyl ether; at 100 ℃; for 12h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.9b08942

Reference yield: 87.0%

N-Methylurea (598-50-5) + benzyl alcohol (100-51-6,185532-71-2) → N-methyl-N'-benzylurea (6957-05-7)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydroxide; In tert-Amyl alcohol; at 110 ℃; for 12h; Schlenk technique; Green chemistry;

Reference yield: 83.0%

acetylhydroxamic acid (546-88-3) + benzylamine (100-46-9) → N-methyl-N'-benzylurea (6957-05-7)

Guidance literature:

acetylhydroxamic acid; With 4-methyl-morpholine; dimethylbromosulphonium bromide; In 1,2-dichloro-ethane; at 0 ℃; for 2h; Inert atmosphere;

benzylamine; In 1,2-dichloro-ethane; at 0 - 80 ℃;

DOI:10.1016/j.tetlet.2012.03.129

upstream raw materials:

1-methyl-3-benzyl thiourea

methyl isocyanate

benzylamine

1-(2-chloroethyl)-3-benzyl-3-(N-methylcarbamoyl)triazene

Downstream raw materials:

6-amino-1-benzyl-3-methyl uracil

(1S,5R)-2-Benzyl-4-methyl-9-oxa-2,4-diaza-bicyclo[3.3.1]nonan-3-one

3-benzyl-1-methyl-3,7-dihydropurine-2,6-dione

1-benzyl-5,6-diamino-3-methyl uracil