8-Nitro-2-oxo-2H-chromene-3-carboxylic acid

Base Information

• Chemical Name: 8-Nitro-2-oxo-2H-chromene-3-carboxylic acid
• CAS No.: 82119-78-6
• Molecular Formula: C₁₀H₅NO₆
• Molecular Weight: 235.153
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID00368177
• Wikidata: Q82154539
• Mol file: 82119-78-6.mol

Synonyms:8-Nitro-2-oxo-2H-chromene-3-carboxylic acid;82119-78-6;8-nitro-2-oxochromene-3-carboxylic acid;SCHEMBL11251185;DTXSID00368177;AKOS008966825;4-AMINO-3-FLUOROPHENYLTHIOCYANATE;CS-0270576;EN300-04220;SR-01000036537;SR-01000036537-1;Z56860314

Chemical Property of 8-Nitro-2-oxo-2H-chromene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 9.55E-10mmHg at 25°C
• Boiling Point: 472.9 °C at 760 mmHg
• Flash Point: 239.8 °C
• PSA: 113.33000
• Density: 1.689 g/cm³
• LogP: 1.92260
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 235.01168688
• Heavy Atom Count: 17
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

8-Nitro-2-oxo-2H-chromene-3-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(=C2)C(=O)O

Technology Process of 8-Nitro-2-oxo-2H-chromene-3-carboxylic acid

There total 3 articles about 8-Nitro-2-oxo-2H-chromene-3-carboxylic acid 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:

8-nitro-2-oxo-2H-chromene-3-carboxylic acid ethyl ester → 8-nitro-2-oxo-2H-chromene-3-carboxylic acid (82119-78-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01179a007

Reference yield:

3-nitrosalicylic aldehyde (5274-70-4) → 8-nitro-2-oxo-2H-chromene-3-carboxylic acid (82119-78-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; piperidine

2: aq. NaOH solution

With piperidine; sodium hydroxide; ethanol;

DOI:10.1021/ja01179a007

Reference yield:

malonic acid (141-82-2) + 3-nitrosalicylic aldehyde (5274-70-4) → 8-nitro-2-oxo-2H-chromene-3-carboxylic acid (82119-78-6)

Guidance literature:

With ethanol; aniline;

upstream raw materials:

malonic acid

3-nitrosalicylic aldehyde