3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime

Base Information

• Chemical Name: 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime
• CAS No.: 2297-69-0
• Molecular Formula: C₉H₇NO₄
• Molecular Weight: 193.159
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID30945672
• Nikkaji Number: J1.398.711D
• Mol file: 2297-69-0.mol

Synonyms:BRN 3261996;RCH-177;2297-69-0;3,6-CYCLOHEPTADIENE-1,2,5-TRIONE, 5-O-ACETYLOXIME;DTXSID30945672;AKOS034463554;LS-55975;5-(Acetoxyimino)-3,6-cycloheptadiene-1,2-dione;5-[(Acetyloxy)imino]cyclohepta-3,6-diene-1,2-dione;Z56880558

Chemical Property of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime

Chemical Property:

• Vapor Pressure: 0.00404mmHg at 25°C
• Boiling Point: 279.4°C at 760 mmHg
• Flash Point: 130.5°C
• PSA: 72.80000
• Density: 1.27g/cm³
• LogP: 0.16970
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 193.03750770
• Heavy Atom Count: 14
• Complexity: 350

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)ON=C1C=CC(=O)C(=O)C=C1

Technology Process of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime

There total 2 articles about 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime 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: 93.0%

5-nitrosotropolone (2297-94-1) + acetic anhydride (108-24-7) → cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime ) (2297-69-0)

Guidance literature:

With 1,4-pyrazine; at 20 ℃; for 27h;

DOI:10.3987/COM-03-S(P)48

Reference yield: 30.0%

pyridine (110-86-1) + 5-nitrosotropolone (2297-94-1) + acetic anhydride (108-24-7) → cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime ) (2297-69-0) + pyrido[1',2':1,2]imidazo[4,5-e]tropolone + acetic acid 7-oxo-7H-4a,10-diaza-benzo[a]azulen-6-yl ester

Guidance literature:

at 20 ℃; for 25h;

DOI:10.3987/COM-03-S(P)48

Reference yield: 47.0%

p-phenylpyridine (939-23-1) + cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime ) (2297-69-0) → 6-hydroxy-2-phenyl-4a,10-diaza-benzo[a]azulen-7-one

Guidance literature:

In dichloromethane; at 20 ℃; for 144h;

DOI:10.3987/COM-03-S(P)48

upstream raw materials:

pyridine

5-nitrosotropolone

acetic anhydride