1,3-Dimethyl-1-phenylurea

Base Information

• Chemical Name: 1,3-Dimethyl-1-phenylurea
• CAS No.: 938-91-0
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• European Community (EC) Number: 213-350-6
• NSC Number: 196190
• UNII: NLR0STO95M
• DSSTox Substance ID: DTXSID50239661
• Nikkaji Number: J298.534I
• Wikidata: Q83122065
• Mol file: 938-91-0.mol

Synonyms:1,3-Dimethyl-1-phenylurea;938-91-0;NLR0STO95M;1,3-Dimethyl-3-phenylurea;Urea, N,N'-dimethyl-N-phenyl-;EINECS 213-350-6;NSC 196190;NSC-196190;phenyldimethylurea;NSC196190;VULPEX;UNII-NLR0STO95M;N,N'-dimethyl-N'-phenylurea;SCHEMBL137254;DTXSID50239661;N,N'-DIMETHYL-N-PHENYLUREA;AKOS006242447;UREA, 1,3-DIMETHYL-1-PHENYL-

Chemical Property of 1,3-Dimethyl-1-phenylurea

Chemical Property:

• Vapor Pressure: 0.000173mmHg at 25°C
• Melting Point: 81.5°C
• Refractive Index: 1.5373 (estimate)
• Boiling Point: 329.8°Cat760mmHg
• Flash Point: 153.3°C
• PSA: 32.34000
• Density: 1.095g/cm³
• LogP: 1.85310
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dimethyl-1-phenylurea

There total 5 articles about 1,3-Dimethyl-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: 80.0%

N-phenyl-N-methylcarbamoyl chloride (4285-42-1) + methylamine (74-89-5) → N,N'-dimethyl-N'-phenylurea (938-91-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201702169

Reference yield: 64.7%

→ N,N'-dimethyl-N'-phenylurea (938-91-0)

Guidance literature:

Reference yield:

N-methylaniline (100-61-8) → N,N'-dimethyl-N'-phenylurea (938-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / dichloromethane / 0.25 h / -30 °C / Inert atmosphere

1.2: 6 h / -60 - 20 °C / Inert atmosphere

2.1: triethylamine / dichloromethane; methanol / 2 h / 20 °C / Inert atmosphere

With pyridine; triethylamine; In methanol; dichloromethane;

DOI:10.1016/j.cclet.2016.05.011

upstream raw materials:

methyl isocyanate

N-methylaniline

N-phenyl-N-methylcarbamoyl chloride

methylamine

Downstream raw materials:

C₉H₁₁N₃O₂