5-Nitrosotropolone

Base Information

• Chemical Name: 5-Nitrosotropolone
• CAS No.: 2297-94-1
• Molecular Formula: C7H5 N O3
• Molecular Weight: 151.122
• NSC Number: 53101
• DSSTox Substance ID: DTXSID50879046
• Nikkaji Number: J354.169J,J2.583.156J
• Mol file: 2297-94-1.mol

Synonyms:5-Nitrosotropolone;RCH 108;RCH-108;2297-94-1;BRN 2043142;2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-5-NITROSO-;SCHEMBL916360;DTXSID50879046;NSC53101;NSC 53101;NSC-53101;LS-56190;2,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitroso-;2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one;5-(Hydroxyimino)-3,6-cycloheptadiene-1,2-dione;2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one #;2,4,6-CYCLOHEPTATRIENE-1-ONE, 2-HYDROXY-5-NITROS

Chemical Property of 5-Nitrosotropolone

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 257.753°C at 760 mmHg
• Flash Point: 109.685°C
• Density: 1.335g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 151.026943022
• Heavy Atom Count: 11
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Nitrosotropolone

There total 4 articles about 5-Nitrosotropolone 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: 90.0%

2-hydroxy-2,4,6-cycloheptatrien-1-one (533-75-5) → 5-nitrosotropolone (2297-94-1)

Guidance literature:

With sodium nitrite;

DOI:10.1248/cpb.49.501

Reference yield:

5,5,6,6-tetrafluoro-cyclohepta-1,3-diene (2267-32-5) → 5-nitrosotropolone (2297-94-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: NaNO₂, aq. HCl

With hydrogenchloride; sodium nitrite; In ethanol;

DOI:10.1021/ja01475a031

Reference yield:

1-methylimino-2-methylaminotropolone (1502-10-9) → 5-nitrosotropolone (2297-94-1)

Guidance literature:

With hydrogenchloride; sodium nitrite;

DOI:10.1021/ja01475a031

upstream raw materials:

1-methylimino-2-methylaminotropolone

2-hydroxy-2,4,6-cycloheptatrien-1-one

5,5,6,6-tetrafluoro-cyclohepta-1,3-diene

Downstream raw materials:

5-nitrotropolone

2-amino-5-nitroso-cycloheptatrienone

2-(2-Benzoyl-hydrazino)-5-nitroso-tropon

2-<2-Troponyl-(2)-hydrazino>-5-nitroso-tropon