1-Methyl-1-phenylurea

Base Information

• Chemical Name: 1-Methyl-1-phenylurea
• CAS No.: 4559-87-9
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60879133
• Nikkaji Number: J30.214G
• Wikidata: Q82861184
• Mol file: 4559-87-9.mol

Synonyms:1-Methyl-1-phenylurea;4559-87-9;Methylphenylurea;Urea, 1-methyl-1-phenyl-;BRN 2803378;N-Methyl-N-phenylurea;phenyl-methylurea;Methylphenylharnstoff;N-Methyl-N-phenylurea #;Urea, N-phenyl-N-methyl;SCHEMBL966681;1-METHYL-1-PHENYL UREA;DTXSID60879133;STL071481;AKOS000147598;LS-160505;CS-0248627;EN300-40509

Chemical Property of 1-Methyl-1-phenylurea

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Boiling Point: 257.6°C at 760 mmHg
• Flash Point: 109.6°C
• PSA: 47.32000
• Density: 1.171g/cm³
• LogP: 1.71530
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

95% ^*data from raw suppliers

1-methyl-1-phenylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Methyl-1-phenylurea

There total 23 articles about 1-Methyl-1-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: 92.0%

methyl(phenyl)cyanamide (18773-77-8) → 1-methyl-1-phenylurea (4559-87-9)

Guidance literature:

With indium(III) chloride; Acetaldehyde oxime; In toluene; at 30 - 40 ℃; for 2h;

DOI:10.5012/bkcs.2011.32.2.716

Reference yield: 79.0%

tetraethylammonium salt of 2-hydroxy-5-nitro-pyridine + N-Methyl-O-phenylcarbamat (1943-79-9) → 1-methyl-1-phenylurea (4559-87-9) + 1-methyl-3-phenylurea (1007-36-9)

Guidance literature:

With hydrogenchloride; sodium carbonate; aniline; In ethanol; chloroform; water;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 1-methyl-3-phenyl-triazene-1-carboxylic acid anilide (20123-50-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-methyl-1-phenylurea (4559-87-9) + benzene diazonium chloride (100-34-5)

Guidance literature:

upstream raw materials:

aniline

5-ethyl-1-methyl-3,5-diphenyl-barbituric acid

potassium cyanate

N-methylaniline hydrochloride

Downstream raw materials:

4,5-dimethyl-2-(N-methyl-N-phenylamino)oxazole

1-(4-bromophenyl)-3-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one

piperonal-(methyl-phenyl-hydrazone)

tetryl

Refernces

• 1、 Kumata, Katsushi,Takei, Makoto,Ogawa, Masanao,Kato, Koichi,Suzuki, Kazutoshi,Zhang, Ming-Rong. "One-pot radiosynthesis of [13N]urea and [13N] carbamate using no-carrier-added [13N]NH3". experimental part. p. 166 - 172. Retrieved 2010/07/02.
• 2、 Murakami,Yokoyama,Sasakura,Tamagawa. "An efficient synthesis of 1,1-disubstituted hydrazines". . p. 423 - 428. Retrieved 2007/10/02.