Butyl phenyl(phenylcarbamoyl)carbamate

Base Information

• Chemical Name: Butyl phenyl(phenylcarbamoyl)carbamate
• CAS No.: 21367-12-4
• Molecular Formula: C18H20N2O3
• Molecular Weight: 312.368
• DSSTox Substance ID: DTXSID70553775
• Nikkaji Number: J634.237J
• Wikidata: Q82434452

Synonyms:Butyl phenyl(phenylcarbamoyl)carbamate;21367-12-4;n-butyl-2,4-diphenylallophanate;SCHEMBL10657178;DTXSID70553775

Chemical Property of Butyl phenyl(phenylcarbamoyl)carbamate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 312.14739250
• Heavy Atom Count: 23
• Complexity: 375

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)N(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2

Technology Process of Butyl phenyl(phenylcarbamoyl)carbamate

There total 9 articles about Butyl phenyl(phenylcarbamoyl)carbamate 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: 44.0%

tetrabutoxytitanium + benzaldehyde (100-52-7) + phenyl isocyanate (103-71-9) → N-phenyl-carbamic acid butyl ester (1538-74-5) + benzylidene phenylamine (538-51-2) + butyl N,N'-diphenylallophanate (21367-12-4)

Guidance literature:

tetrabutoxytitanium; benzaldehyde; phenyl isocyanate; In tetrahydrofuran; at 20 ℃; for 60h; Inert atmosphere;

With water; In tetrahydrofuran; for 1h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2009.10.044

Reference yield:

tetrabutoxytitanium + phenyl isocyanate (103-71-9) → N-phenyl-carbamic acid butyl ester (1538-74-5) + N,N'-diphenylbutoxymethanimidamide (16005-57-5) + 1,3-Diphenylcarbodiimide (622-16-2) + butyl N,N'-diphenylallophanate (21367-12-4)

Guidance literature:

tetrabutoxytitanium; phenyl isocyanate; In toluene; at 110 ℃;

With water;

DOI:10.1007/s12039-012-0333-2

Reference yield:

zirconium n-butanolate + phenyl isocyanate (103-71-9) → N-phenyl-carbamic acid butyl ester (1538-74-5) + 1,3-Diphenylcarbodiimide (622-16-2) + butyl N,N'-diphenylallophanate (21367-12-4)

Guidance literature:

In toluene; at 110 ℃; for 48h; Inert atmosphere;

DOI:10.1007/s12039-011-0069-4

upstream raw materials:

triphenyl isocyanurate

N-phenyl-carbamic acid butyl ester

phenyl isocyanate

benzaldehyde

Downstream raw materials:

N-phenyl-carbamic acid butyl ester

phenyl isocyanate

triphenyl isocyanurate

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