6-Nitro-2-chromanone

Base Information

• Chemical Name: 6-Nitro-2-chromanone
• CAS No.: 20920-99-4
• Molecular Formula: C9H7 N O4
• Molecular Weight: 193.159
• NSC Number: 105511
• DSSTox Substance ID: DTXSID50295782
• Nikkaji Number: J737.151I
• Wikidata: Q82035936
• ChEMBL ID: CHEMBL1971518
• Mol file: 20920-99-4.mol

Synonyms:3,4-dihydro-6-nitrocoumarin;6-nitrodihydrocoumarin

Chemical Property of 6-Nitro-2-chromanone

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Boiling Point: 371°C at 760 mmHg
• Flash Point: 192.6°C
• Density: 1.424g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 193.03750770
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)OC2=C1C=C(C=C2)[N+](=O)[O-]

Technology Process of 6-Nitro-2-chromanone

There total 3 articles about 6-Nitro-2-chromanone 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: 76.0%

C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 6-nitro-3,4-dihydrocoumarin (20920-99-4)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid; at 20 ℃; for 1h;

Reference yield:

C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 6-nitro-3,4-dihydrocoumarin (20920-99-4) + 3-(2-hydroxy-3-nitro-phenyl)-propionic acid (54892-95-4)

Guidance literature:

With nitric acid; acetic acid; anschliessend mit wss. H₂SO₄ behandeln;

Reference yield:

→ 6-nitro-3,4-dihydrocoumarin (20920-99-4)

Guidance literature:

3,4-Dihydrocumarin (4), HNO3/Ac2O; vgl. J. of the Uniersity of Bombay, Vol. XXIII, part. 3, <1954> 33 ;

DOI:10.1016/S0040-4020(01)97386-7

upstream raw materials:

C₆H₄(CH₂CH₂C(O)O)

Downstream raw materials:

methyl 3-(2-hydroxy-5-nitrophenyl)propanoate

ethyl 3-(2-hydroxy-5-nitrophenyl)propanoate