5-Aminotropolone

Base Information

• Chemical Name: 5-Aminotropolone
• CAS No.: 7021-46-7
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• NSC Number: 102877
• DSSTox Substance ID: DTXSID90990446
• Nikkaji Number: J57.870C
• Mol file: 7021-46-7.mol

Synonyms:5-Aminotropolone;5-amino-2-hydroxycyclohepta-2,4,6-trien-1-one;7021-46-7;VII tropolone;2,4,6-CYCLOHEPTATRIEN-1-ONE, 5-AMINO-2-HYDROXY-;5-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one;NSC 102877;BRN 1524779;NSC102877;SCHEMBL916337;DTXSID90990446;AKOS006340973;NSC-102877;LS-56156;EN300-658853;5-amino-2-hydroxy-2,4,6 -cycloheptatrien-1-one;5-amino-2-hydroxy-2,4,6-cycloheptatriene-1-one;F9994-0566;Z1203578162

Chemical Property of 5-Aminotropolone

Chemical Property:

• Vapor Pressure: 0.00156mmHg at 25°C
• Melting Point: 177.25°C
• Refractive Index: 1.5030 (estimate)
• Boiling Point: 262.3°Cat760mmHg
• Flash Point: 112.5°C
• PSA: 63.32000
• Density: 1.356g/cm³
• LogP: 0.91580
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

5-Aminotropolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C(=CC=C1N)O

Technology Process of 5-Aminotropolone

There total 1 articles about 5-Aminotropolone 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:

5-bromo-2-methoxycyclohepta-2,4,6-trien-1-one (33816-51-2) → 5-aminotropolone (7021-46-7)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. HCl

With hydrogenchloride;

Reference yield: 92.0%

5-aminotropolone (7021-46-7) + 3,5-di-tert-butylbenzoyl chloride (14377-33-4) → C37H47NO4 (441793-61-9)

Guidance literature:

With pyridine; dmap;

Reference yield: 80.0%

5-aminotropolone (7021-46-7) + 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride (785-56-8) → C25H11F12NO4 (441793-62-0)

Guidance literature:

With pyridine; dmap;

upstream raw materials:

5-bromo-2-methoxycyclohepta-2,4,6-trien-1-one

Downstream raw materials:

2,5-dihydroxycyclohepta-2,4,6-trien-1-one

5-(2,4,6-triphenyl-N-pyridinio)tropolonate

2-methoxy-5-(2',3',4'-trimethoxyphenyl)-2,4,6-cycloheptatrien-1-one

Tp₈₀