(6E)-6-[(3-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one

Base Information

• Chemical Name: (6E)-6-[(3-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one
• CAS No.: 788-18-1
• Molecular Formula: C15H13NO2
• Molecular Weight: 239.274
• European Community (EC) Number: 666-340-2
• NSC Number: 116578
• DSSTox Substance ID: DTXSID70418794
• Nikkaji Number: J1.179.057G
• Wikidata: Q82229481
• Mol file: 788-18-1.mol

Synonyms:788-18-1;NSC116578;CBDivE_003707;DTXSID70418794;JFQORNWAPCFEIV-MHWRWJLKSA-N;(6E)-6-[(3-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one;STK053551;AKOS000488109;NSC-116578;ALPHA-(3-ACETYLPHENYLIMINO)-O-CRESOL;SR-01000359959;Ethanone, 1-[3-(2-hydroxybenzylidenamino)phenyl]-;SR-01000359959-1;(E)-1-[3-(2-Hydroxybenzylideneamino)phenyl]ethanone;1-(3-{[(E)-(2-hydroxyphenyl)methylidene]amino}phenyl)ethanone;Ethanone, 1-[3-[[(2-hydroxyphenyl)methylene]amino]phenyl]-;1-(3-([(E)-(2-Hydroxyphenyl)methylidene]amino)phenyl)ethanone #

Chemical Property of (6E)-6-[(3-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one

Chemical Property:

• Vapor Pressure: 2.92E-07mmHg at 25°C
• Boiling Point: 419.9°Cat760mmHg
• Flash Point: 167.3°C
• Density: 1.289g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 239.094628657
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)N=CC2=CC=CC=C2O

Technology Process of (6E)-6-[(3-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one

There total 6 articles about (6E)-6-[(3-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one 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: 97.0%

2-methyl-benzyl alcohol (89-95-2) + 1-(3-aminophenyl)ethanone (99-03-6) → 1-{3-[(2-hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone (788-18-1)

Guidance literature:

at 20 ℃; for 0.0666667h; microwave irradiation;

DOI:10.1081/SCC-120006012

Reference yield: 87.0%

1-(3-aminophenyl)ethanone (99-03-6) + salicylaldehyde (90-02-8) → 1-{3-[(2-hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone (788-18-1)

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.2174/157018012799079815

Reference yield: 68.0%

1-(3-aminophenyl)ethanone (99-03-6) + salicylaldehyde (90-02-8) → 1-(3-{[1-(2-Hydroxy-phenyl)-meth-(E)-ylidene]-amino}-phenyl)-ethanone (788-18-1)

Guidance literature:

In acetone; for 2h; Reflux;

DOI:10.1016/j.ejmech.2014.02.021

upstream raw materials:

1-(3-aminophenyl)ethanone

salicylaldehyde

2-methyl-benzyl alcohol

3-methoxy-2-hydroxybenzaldehyde

Downstream raw materials:

(E)-1-(3-((E)-2-hydroxybenzylideneamino)phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-(3-((E)-2-hydroxybenzylideneamino)phenyl)-3-p-tolylprop-2-en-1-one

C₂₄H₁₉ClN₄O

(3-acetophenylsalicylaldiminato)acetylacetonato cobalt(II)