1,1-Dimethyl-3-furfurylurea

Base Information

• Chemical Name: 1,1-Dimethyl-3-furfurylurea
• CAS No.: 70628-26-1
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.1931
• NSC Number: 194869
• UNII: HZ68RL3P42
• DSSTox Substance ID: DTXSID30990844
• Nikkaji Number: J87.695J
• Wikidata: Q82980484
• Mol file: 70628-26-1.mol

Synonyms:1,1-Dimethyl-3-furfurylurea;70628-26-1;3-(furan-2-ylmethyl)-1,1-dimethylurea;NSC-194869;Urea, 1,1-dimethyl-3-furfuryl-;NSC194869;Urea, N'-(2-furanylmethyl)-N,N-dimethyl-;Urea,1-dimethyl-3-furfuryl-;HZ68RL3P42;SCHEMBL5130431;DTXSID30990844;NSC 194869;1-[(furan-2-yl)methyl]-3,3-dimethylurea;N'-(2-FURANYLMETHYL)-N,N-DIMETHYLUREA;N'-((FURAN-2-YL)METHYL)-N,N-DIMETHYLUREA;N'-[(Furan-2-yl)methyl]-N,N-dimethylcarbamimidic acid

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

Chemical Property:

• Vapor Pressure: 4.63E-05mmHg at 25°C
• Melting Point: 90.0-91.9 °C
• Boiling Point: 349.7°Cat760mmHg
• PKA: 13.28±0.46(Predicted)
• Flash Point: 165.3°C
• PSA: 45.48000
• Density: 1.112g/cm³
• LogP: 1.44170
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

N'-(2-furanylmethyl)-N,N-dimethyl-Urea 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)NCC1=CC=CO1

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

There total 1 articles about 1,1-Dimethyl-3-furfurylurea 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: 79.0%

furan-2-ylmethanamine (617-89-0) + N,N-Dimethylcarbamoyl chloride (79-44-7) → 3-(furan-2-ylmethyl)-1,1-dimethylurea (70628-26-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 55 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo100634z

upstream raw materials:

furan-2-ylmethanamine

N,N-Dimethylcarbamoyl chloride