1,1-Diisopropyl-3-(p-tolyl)urea

Base Information

• Chemical Name: 1,1-Diisopropyl-3-(p-tolyl)urea
• CAS No.: 132931-79-4
• Molecular Formula: C₁₄H₂₂N₂O
• Molecular Weight: 234.341
• European Community (EC) Number: 666-818-0
• Nikkaji Number: J352.726C
• Mol file: 132931-79-4.mol

Synonyms:1,1-Diisopropyl-3-(p-tolyl)urea;AKOS002938861

Chemical Property of 1,1-Diisopropyl-3-(p-tolyl)urea

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 234.173213330
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)N(C(C)C)C(C)C

Technology Process of 1,1-Diisopropyl-3-(p-tolyl)urea

There total 5 articles about 1,1-Diisopropyl-3-(p-tolyl)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: 80.0%

p-Tolylisocyanate (622-58-2,374675-64-6) + diisopropylamine (108-18-9) → N'-(4-methylphenyl)-N,N-dipropan-2-ylurea (132931-79-4)

Guidance literature:

In diethyl ether; for 3h; Ambient temperature;

DOI:10.1248/cpb.38.2644

Reference yield: 24.0%

3-Benzyl-3-methyl-1-(4-tolyl)-1-nitrosourea (132931-83-0) → Benzylmethylnitrosamin (937-40-6) + N'-(4-methylphenyl)-N,N-dipropan-2-ylurea (132931-79-4) + 3-Benzyl-3-methyl-1-(4-tolyl)triazene (132931-87-4) + 3-Benzyl-3-methyl-1-(2-nitro-4-tolyl)urea (132931-85-2) + p-Tolylisocyanate (622-58-2,374675-64-6)

Guidance literature:

In tetrachloromethane; at 33 ℃; for 24h; Product distribution; Mechanism;

DOI:10.1248/cpb.38.2644

Reference yield:

O-(4-nitrophenyl)-N-(4-tolyl)carbamate (3848-42-8) + diisopropylamine (108-18-9) → N'-(4-methylphenyl)-N,N-dipropan-2-ylurea (132931-79-4)

Guidance literature:

In tetrahydrofuran; for 0.5h; Yield given; Ambient temperature;

DOI:10.1016/S0960-894X(98)00559-9

upstream raw materials:

3-Benzyl-3-methyl-1-(4-tolyl)-1-nitrosourea

p-Tolylisocyanate

diisopropylamine

O-(4-nitrophenyl)-N-(4-tolyl)carbamate

Downstream raw materials:

3,3-Diisopropyl-1-(4-tolyl)-1-nitrosourea