N,N'-bis(4-isobutoxybenzyl)urea

Base Information

• Chemical Name: N,N'-bis(4-isobutoxybenzyl)urea
• CAS No.: 955997-87-2
• Molecular Formula: C₂₃H₃₂N₂O₃
• Molecular Weight: 384.519
• Mol file: 955997-87-2.mol

Synonyms:

Chemical Property of N,N'-bis(4-isobutoxybenzyl)urea

Chemical Property:

• Melting Point: 154 - 156°C
• Boiling Point: 579.8±45.0 °C(Predicted)
• Density: 1.062±0.06 g/cm3(Predicted)

Purity/Quality:

99.0% Min ^*data from raw suppliers

1,3-Bis(4-isobutoxybenzyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 1,3-Bis(4-isobutoxybenzyl)urea is an impurity in the preparation of Pimavanserin (P441800), a drug used in the treatment of Parkinson’s disease and psychosis.

Technology Process of N,N'-bis(4-isobutoxybenzyl)urea

There total 17 articles about N,N'-bis(4-isobutoxybenzyl)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: 70.0%

1-(isocyanatomethyl)-4-(2-methylpropoxy)benzene (639863-75-5) + N- [(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine (359878-47-0) → N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N′-(4-(2-methylpropyloxyl)phenylmethyl)carbamide (706779-91-1) + N,N'-bis(4-isobutoxybenzyl)urea (955997-87-2)

Guidance literature:

In dichloromethane; at 25 ℃; for 5.5h; Temperature;

DOI:10.1177/1747519819873643

Reference yield: 70.0%

1-(isocyanatomethyl)-4-(2-methylpropoxy)benzene (639863-75-5) + N- [(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine (359878-47-0) → N-(1-methylpiperidin-4-yl)-N-(4-fluorophenylmethyl)-N′-(4-(2-methylpropyloxyl)phenylmethyl)carbamide (706779-91-1) + N,N'-bis(4-isobutoxybenzyl)urea (955997-87-2) + C37H49FN4O4

Guidance literature:

In dichloromethane; at 25 ℃; for 5.5h; Temperature;

DOI:10.1177/1747519819873643

Reference yield: 67.5%

1-[4-(2-methylpropyloxy)phenyl]methanamine (4734-09-2) + N-(4-isobutoxybenzyl)carbamic acid phenyl ester → N,N'-bis(4-isobutoxybenzyl)urea (955997-87-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 4h;

upstream raw materials:

1-[4-(2-methylpropyloxy)phenyl]methanamine

N- [(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine

4-fluorobenzonitrile

4-fluorobenzaldehyde