2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-

Base Information

• Chemical Name: 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-
• CAS No.: 7761-80-0
• Molecular Formula: C14H11NO3
• Molecular Weight: 241.246
• Hs Code.: 2916399090
• European Community (EC) Number: 231-852-3
• NSC Number: 89187
• UNII: I0H60V4I6S
• DSSTox Substance ID: DTXSID1064794
• Nikkaji Number: J326.547A
• ChEMBL ID: CHEMBL3276936
• Mol file: 7761-80-0.mol

Synonyms:indophenyl acetate

Chemical Property of 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-

Chemical Property:

• Appearance/Colour: dark brown crystalline powder
• Vapor Pressure: 1.28E-05mmHg at 25°C
• Melting Point: 111-116 °C
• Refractive Index: 1.573
• Boiling Point: 368.3 °C at 760 mmHg
• PKA: 0.36±0.20(Predicted)
• Flash Point: 167.4 °C
• PSA: 55.73000
• Density: 1.17 g/cm³
• LogP: 2.37950
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.07389321
• Heavy Atom Count: 18
• Complexity: 408

Purity/Quality:

98%,99%, ^*data from raw suppliers

Indophenolacetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)N=C2C=CC(=O)C=C2

Technology Process of 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-

There total 4 articles about 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]- 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-amino-phenol (123-30-8) → indophenyl acetate (7761-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hypochlorite

With sodium hypochlorite;

Reference yield:

phenol (108-95-2,27073-41-2) → indophenyl acetate (7761-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hypochlorite

With sodium hypochlorite;

Reference yield:

acetic anhydride (108-24-7) → indophenyl acetate (7761-80-0)

Guidance literature:

DOI:10.1021/jo01093a032

upstream raw materials:

indophenol

acetic anhydride

4-amino-phenol

phenol

Downstream raw materials:

indophenol

acetic acid