1-Butyl-3-(2,6-dimethylphenyl)urea

Base Information

• Chemical Name: 1-Butyl-3-(2,6-dimethylphenyl)urea
• CAS No.: 39143-71-0
• Molecular Formula: C13H20 N2 O
• Molecular Weight: 220.3107
• European Community (EC) Number: 665-952-7
• NSC Number: 164172
• DSSTox Substance ID: DTXSID80304098
• Wikidata: Q82049761
• Mol file: 39143-71-0.mol

Synonyms:39143-71-0;1-butyl-3-(2,6-dimethylphenyl)urea;NSC164172;DTXSID80304098;AKOS017084617;N-butyl-N'-(2,6-dimethylphenyl)urea;NSC-164172

Chemical Property of 1-Butyl-3-(2,6-dimethylphenyl)urea

Chemical Property:

• Vapor Pressure: 0.000666mmHg at 25°C
• Boiling Point: 308.8°Cat760mmHg
• Flash Point: 105.2°C
• Density: 1.032g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)NC1=C(C=CC=C1C)C

Technology Process of 1-Butyl-3-(2,6-dimethylphenyl)urea

There total 2 articles about 1-Butyl-3-(2,6-dimethylphenyl)urea 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: 18.0%

1-butyl-3-(2,6-dimethylphenyl)thiourea (134810-24-5) + thiourea (17356-08-0) → 1-butyl-3-[2,6-dimethylphenyl]urea (39143-71-0) + [3-Amino-4-butyl-4H-[1,2,4]thiadiazol-(5Z)-ylidene]-(2,6-dimethyl-phenyl)-amine (134810-38-1) + 5-[(Z)-Butylimino]-4-(2,6-dimethyl-phenyl)-4,5-dihydro-[1,2,4]thiadiazol-3-ylamine (134810-29-0)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In methanol; water;

Reference yield:

2,6-dimethylphenyl isonitrile (119072-54-7,2769-71-3) + N-butylamine (109-73-9,85404-21-3) → 1-butyl-3-[2,6-dimethylphenyl]urea (39143-71-0)

Guidance literature:

With mercury(II) diacetate; In tetrahydrofuran;

DOI:10.1016/S0040-4039(01)94290-X

Reference yield:

1-butyl-3-[2,6-dimethylphenyl]urea (39143-71-0) → Butyl-(2,6-dimethyl-phenyl)-carbodiimide (57137-69-6)

Guidance literature:

With triethylamine; dibromotriphenylphosphorane; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo9804341

upstream raw materials:

2,6-dimethylphenyl isonitrile

N-butylamine

1-butyl-3-(2,6-dimethylphenyl)thiourea

thiourea

Downstream raw materials:

Butyl-(2,6-dimethyl-phenyl)-carbodiimide

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