4-(((Phenylamino)carbonyl)oxy)benzaldehyde

Base Information

• Chemical Name: 4-(((Phenylamino)carbonyl)oxy)benzaldehyde
• CAS No.: 37076-88-3
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• European Community (EC) Number: 662-736-4
• NSC Number: 164625
• DSSTox Substance ID: DTXSID00190571
• Nikkaji Number: J1.618.689I
• Wikidata: Q83062971
• Mol file: 37076-88-3.mol

Synonyms:37076-88-3;4-(((PHENYLAMINO)CARBONYL)OXY)BENZALDEHYDE;(4-formylphenyl) N-phenylcarbamate;4-FORMYLPHENYL N-PHENYLCARBAMATE;NSC164625;Oprea1_287455;Oprea1_701565;SCHEMBL7973772;DTXSID00190571;4-[(Phenylcarbamoyl)oxy]benzaldehyde;AKOS000523953;NSC 164625;NSC-164625;FT-0712837;EN300-25290789;SR-01000321401;SR-01000321401-1;Z55289534

Chemical Property of 4-(((Phenylamino)carbonyl)oxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 4.24E-06mmHg at 25°C
• Boiling Point: 383.9°C at 760 mmHg
• Flash Point: 186°C
• Density: 1.296g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C=O

Technology Process of 4-(((Phenylamino)carbonyl)oxy)benzaldehyde

There total 1 articles about 4-(((Phenylamino)carbonyl)oxy)benzaldehyde 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:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + phenyl isocyanate (103-71-9) → 4-formylphenyl N-phenylcarbamate, (37076-88-3)

Guidance literature:

In neat (no solvent); for 6h;

DOI:10.1016/j.saa.2015.02.084

Reference yield: 67.0%

4-formylphenyl N-phenylcarbamate, (37076-88-3) + dimethyl acetylenedicarboxylate (762-42-5) + triphenylphosphine (603-35-0) → dimethyl 2-[N-(4-formylphenyl)-N-phenylcarbamate-N-yl]-3-(triphenylphosphor-anylidene)butanedioate + dimethyl 2-[N-(4-formylphenyl)-N-phenylcarbamate-N-yl]-3-(triphenylphosphor-anylidene)butanedioate

Guidance literature:

In dichloromethane; at 20 ℃; for 24.1667h;

DOI:10.1016/j.saa.2015.02.084

upstream raw materials:

4-hydroxy-benzaldehyde

phenyl isocyanate