2-[[[(3-Chloropropyl)amino]carbonyl]amino]-N-(4-methylphenyl)benzamide

Base Information

• Chemical Name: 2-[[[(3-Chloropropyl)amino]carbonyl]amino]-N-(4-methylphenyl)benzamide
• CAS No.: 94507-35-4
• Molecular Formula: C18H20ClN3O2
• Molecular Weight: 345.829
• DSSTox Substance ID: DTXSID701154473
• Mol file: 94507-35-4.mol

Synonyms:DTXSID701154473;2-[[[(3-Chloropropyl)amino]carbonyl]amino]-N-(4-methylphenyl)benzamide;94507-35-4

Chemical Property of 2-[[[(3-Chloropropyl)amino]carbonyl]amino]-N-(4-methylphenyl)benzamide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 345.1244046
• Heavy Atom Count: 24
• Complexity: 411

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)NCCCCl

Technology Process of 2-[[[(3-Chloropropyl)amino]carbonyl]amino]-N-(4-methylphenyl)benzamide

There total 3 articles about 2-[[[(3-Chloropropyl)amino]carbonyl]amino]-N-(4-methylphenyl)benzamide 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: 100.0%

2-<(3-Chloropropyl)amino>-4H-3,1-benzoxazin-4-one (94507-26-3) + p-toluidine (106-49-0,12221-03-3) → N-(4-Methylphenyl)-2-<3-(3-chloropropyl)ureido>benzamide (94507-35-4)

Guidance literature:

for 0.05h; Heating;

Reference yield:

Methyl 2-<3-(3-Chloropropyl)ureido>benzoate (94507-25-2) → N-(4-Methylphenyl)-2-<3-(3-chloropropyl)ureido>benzamide (94507-35-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / conc. H₂SO₄ / 3 h / Ambient temperature

2: 100 percent / 0.05 h / Heating

With sulfuric acid;

Reference yield:

2-carbomethoxyaniline (134-20-3) → N-(4-Methylphenyl)-2-<3-(3-chloropropyl)ureido>benzamide (94507-35-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / 4 h / Ambient temperature

2: 94 percent / conc. H₂SO₄ / 3 h / Ambient temperature

3: 100 percent / 0.05 h / Heating

With sulfuric acid;

upstream raw materials:

2-<(3-Chloropropyl)amino>-4H-3,1-benzoxazin-4-one

p-toluidine

Methyl 2-<3-(3-Chloropropyl)ureido>benzoate

2-carbomethoxyaniline