4-Benzylideneaminophenol

Base Information

• Chemical Name: 4-Benzylideneaminophenol
• CAS No.: 588-53-4
• Molecular Formula: C13H11 N O
• Molecular Weight: 197.236
• Hs Code.: 2925290090
• European Community (EC) Number: 209-620-8
• NSC Number: 1565
• UNII: 7GT4SC5XWM
• DSSTox Substance ID: DTXSID801031971
• Nikkaji Number: J21.564C
• ChEMBL ID: CHEMBL201858
• Mol file: 588-53-4.mol

Synonyms:B1620

Chemical Property of 4-Benzylideneaminophenol

Chemical Property:

• Vapor Pressure: 3.27E-06mmHg at 25°C
• Melting Point: 185 °C
• Boiling Point: 376.8°Cat760mmHg
• PKA: 9.41±0.13(Predicted)
• Flash Point: 239°C
• PSA: 32.59000
• Density: 1.05g/cm³
• LogP: 3.14280
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.084063974
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

4-Benzylideneaminophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Benzylideneaminophenol

There total 23 articles about 4-Benzylideneaminophenol 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: 99.0%

4-(benzylamino)phenol (103-14-0) → 4-benzylidenamino-phenol (588-53-4)

Guidance literature:

With carbon dioxide; DBN; Eosin Y; In dimethyl sulfoxide; at 25 - 30 ℃; for 48h; Irradiation;

DOI:10.1021/acscatal.8b03059

Reference yield: 98.0%

meta-nitrophenol (554-84-7) + benzaldehyde (100-52-7) → 4-benzylidenamino-phenol (588-53-4)

Guidance literature:

meta-nitrophenol; benzaldehyde; With sodium tetrahydroborate; In water; at 20 ℃; for 0.5h; Green chemistry;

benzaldehyde; In water; at 20 ℃; for 1.83333h; Green chemistry;

DOI:10.1039/C8RA10212K

Reference yield: 91.0%

4-amino-phenol (123-30-8) + benzaldehyde (100-52-7) → 4-benzylidenamino-phenol (588-53-4)

Guidance literature:

In ethanol; for 1.5h; Heating / reflux;

upstream raw materials:

4-nitro-phenol

ethanol

4-amino-phenol

benzaldehyde

Downstream raw materials:

N-benzylidene-4-ethoxyaniline

4-Ethoxyaniline

(4-hydroxyphenyl)ethylamine

benzaldehyde