1-Methyl-3-phenylurea

Base Information

• Chemical Name: 1-Methyl-3-phenylurea
• CAS No.: 1007-36-9
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• European Community (EC) Number: 622-469-6
• NSC Number: 10989
• UNII: 11YB479454
• DSSTox Substance ID: DTXSID1074416
• Nikkaji Number: J93.282E
• Wikidata: Q27251351
• ChEMBL ID: CHEMBL584381
• Mol file: 1007-36-9.mol

Synonyms:1-Methyl-3-phenylurea;1007-36-9;Defenuron;N-Methyl-N'-phenylurea;Urea, N-methyl-N'-phenyl-;Urea, 1-methyl-3-phenyl-;N-Phenyl-N'-methylurea;IPO 4328;CCRIS 2709;NSC 10989;NSC-10989;BRN 0742887;UNII-11YB479454;11YB479454;4-12-00-00734 (Beilstein Handbook Reference);1-phenyl-3-methylurea;1-methyl-3-phenyl urea;fenuron-monodemethyl;NSC10989;3-methyl-1-phenylurea;1-Methyl-3-phenyl-urea;SCHEMBL714237;CHEMBL584381;DTXSID1074416;CHEBI:157705;Benzothiazole, 6-fluoro-2-methyl-;IPO-4328;MFCD00014855;AKOS005231955;NCI60_000241;LS-160506;CS-0112589;FT-0629298;D77088;Q27251351;Z55293754

Chemical Property of 1-Methyl-3-phenylurea

Chemical Property:

• Vapor Pressure: 0.0592mmHg at 25°C
• Melting Point: 154-155℃
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 232.4°Cat760mmHg
• PKA: 12.77±0.46(Predicted)
• Flash Point: 98.9°C
• PSA: 41.13000
• Density: 1.143g/cm³
• LogP: 1.90180
• Water Solubility.: 740g/L(45 oC)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Methyl-3-phenylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Methyl-3-phenylurea

There total 45 articles about 1-Methyl-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: 95.0%

methyl isocyanate (624-83-9) + aniline (62-53-3) → 1-methyl-3-phenylurea (1007-36-9)

Guidance literature:

In diethyl ether; for 1h;

Reference yield: 93.0%

carbon monoxide (201230-82-2) + nitrobenzene (98-95-3,26969-40-4) + methylamine (74-89-5) → 1-methyl-3-phenylurea (1007-36-9)

Guidance literature:

nitrobenzene; methylamine; In methanol; N,N-dimethyl-formamide; for 0.166667h;

carbon monoxide; With iron(III) chloride; In methanol; N,N-dimethyl-formamide; at 90 ℃; for 5h; under 3040.2 Torr; Autoclave;

DOI:10.1039/c8nj00475g

Reference yield: 92.0%

1-(phenylaminocarbonyl)aziridine (13279-22-6) + methylamine (74-89-5) → ethyleneimine (151-56-4,9002-98-6) + 1-methyl-3-phenylurea (1007-36-9)

Guidance literature:

In ethanol; at 18 - 25 ℃; for 168h;

upstream raw materials:

1-methyl-1-phenylthiourea

phenyl isocyanate

methylamine

methyl isocyanate

Downstream raw materials:

N,N-diphenylurea

1-methyl-3-phenyl-5-propyl-barbituric acid

N-chloroacetyl-N-methyl-N'-phenyl-urea

1-(4-chlorophenyl)-4-phenylsemicarbazide

Refernces

• 1、 Basu, Priyanka,Riyajuddin, Sk,Dey, Tusar Kanto,Ghosh, Aniruddha,Ghosh, Kaushik,Islam, Sk Manirul. "Synthesis and architecture of polystyrene-supported Schiff base-palladium complex: Catalytic features and functions in diaryl urea preparation in conjunction with Suzuki-Miyaura cross-coupling reaction by reductive carbonylation". . p. 37 - 50. Retrieved 2018.
• 2、 Tokumitsu, Takao. "Reaction of β-Nitro Enamines with Isocyanates, Isothiocyanates and Dimethyl Acetylenedicarboxylate". . p. 3871 - 3876. Retrieved 1986.
• 3、 Valizadeh, Hassan,Dinparast, Leila. "Microwave-assisted synthesis of symmetrical and unsymmetrical N,N 0-disubstituted thioureas and ureas over MgO in dry media". experimental part. p. 251 - 254. Retrieved 2012/07/01.