methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate

Base Information

• Chemical Name: methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate
• CAS No.: 91059-67-5
• Molecular Formula: C11H7 N O6
• Molecular Weight: 249.18
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID30351072
• Nikkaji Number: J2.140.205B
• Wikidata: Q82127181
• Mol file: 91059-67-5.mol

Synonyms:methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate;91059-67-5;methyl 6-nitro-2-oxochromene-3-carboxylate;MFCD00488482;methyl6-nitro-2-oxo-2H-chromene-3-carboxylate;Oprea1_208062;Oprea1_446690;C11H7NO6;DTXSID30351072;STK749428;AKOS000511600;SY301784;CS-0319130;FT-0680757;9Y-0806;J-522562

Chemical Property of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate

Chemical Property:

• Melting Point: 212-214°
• PSA: 102.33000
• LogP: 2.01100
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 249.02733694
• Heavy Atom Count: 18
• Complexity: 424

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Technology Process of methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate

There total 11 articles about methyl 6-nitro-2-oxo-2H-chromene-3-carboxylate 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: 92.82%

methyl 2-oxo-2H-chromene-3-carboxylate (21259-42-7) → 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid methyl ester (91059-67-5)

Guidance literature:

methyl 2-oxo-2H-chromene-3-carboxylate; With sulfuric acid; at 0 ℃; for 0.25h;

With nitric acid; at 0 - 5 ℃; for 1h;

DOI:10.1039/c6ra24799g

Reference yield: 90.0%

→ 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid methyl ester (91059-67-5)

Guidance literature:

With iron(III) chloride; at 70 ℃; for 6h; Green chemistry;

Reference yield: 89.0%

methanol (67-56-1) + cycl-isopropylidene malonate (2033-24-1) + 5-Nitrosalicylaldehyde (97-51-8) → 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylic acid methyl ester (91059-67-5)

Guidance literature:

With iron(III) chloride; at 70 ℃; for 8h;

DOI:10.1016/j.tet.2014.12.042

upstream raw materials:

methanol

6-nitro-2-oxo-2H-chromen-3-carboxylic acid

5-Nitrosalicylaldehyde

malonic acid dimethyl ester