2H-1-Benzopyran-2-one, 8-methoxy-3-nitro-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 8-methoxy-3-nitro-
• CAS No.: 88184-83-2
• Molecular Formula: C₁₀H₇NO₅
• Molecular Weight: 221.169
• DSSTox Substance ID: DTXSID40356371
• Nikkaji Number: J1.149.327K
• Wikidata: Q82135669
• Mol file: 88184-83-2.mol

Synonyms:8-methoxy-3-nitrochromen-2-one;88184-83-2;2H-1-Benzopyran-2-one, 8-methoxy-3-nitro-;3-nitro-8-methoxy-2H-chromen-2-one;DTXSID40356371;AB-337/13036192

Chemical Property of 2H-1-Benzopyran-2-one, 8-methoxy-3-nitro-

Chemical Property:

• PSA: 85.26000
• LogP: 2.23300
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 221.03242232
• Heavy Atom Count: 16
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)[N+](=O)[O-]

Technology Process of 2H-1-Benzopyran-2-one, 8-methoxy-3-nitro-

There total 2 articles about 2H-1-Benzopyran-2-one, 8-methoxy-3-nitro- 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: 81.0%

nitroacetic acid ethyl ester (626-35-7) + 3-methoxy-2-hydroxybenzaldehyde (148-53-8) → 8-methoxy-3-nitrocoumarin (88184-83-2)

Guidance literature:

With L-proline; In ethanol; at 80 ℃; for 4h;

DOI:10.1007/s00706-016-1736-4

Reference yield: 76.0%

methyl 2-nitroacetate (2483-57-0) + 3-methoxy-2-hydroxybenzaldehyde (148-53-8) → 8-methoxy-3-nitrocoumarin (88184-83-2)

Guidance literature:

With diethyl amine hydrochloride; In toluene; for 24h; Heating;

DOI:10.1055/s-1983-30534

Reference yield: 19.0%

Papaverine (58-74-2) + 8-methoxy-3-nitrocoumarin (88184-83-2) → C30H25NO7

Guidance literature:

With sodium hydrogencarbonate; In 5,5-dimethyl-1,3-cyclohexadiene; at 160 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.7b01061

upstream raw materials:

methyl 2-nitroacetate

3-methoxy-2-hydroxybenzaldehyde

nitroacetic acid ethyl ester