6,7-Dimethoxy-3-nitro-2H-chromene

Base Information

• Chemical Name: 6,7-Dimethoxy-3-nitro-2H-chromene
• CAS No.: 129142-21-8
• Molecular Formula: C11H11NO5
• Molecular Weight: 237
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID50561732
• Nikkaji Number: J2.742.082F
• Wikidata: Q82445588
• Mol file: 129142-21-8.mol

Synonyms:6,7-Dimethoxy-3-nitro-2H-chromene;129142-21-8;6,7-dimethoxy-3-nitro-2H-1-benzopyran;DTXSID50561732

Chemical Property of 6,7-Dimethoxy-3-nitro-2H-chromene

Chemical Property:

• PSA: 73.51000
• LogP: 2.23700
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.06372245
• Heavy Atom Count: 17
• Complexity: 324

Purity/Quality:

99%min ^*data from raw suppliers

6,7-Dimethoxy-3-nitro-2H-chromene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C=C(CO2)[N+](=O)[O-])OC

Technology Process of 6,7-Dimethoxy-3-nitro-2H-chromene

There total 2 articles about 6,7-Dimethoxy-3-nitro-2H-chromene 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: 72.0%

1-nitroethylene (3638-64-0,26618-70-2) + 2-hydroxy-4,5-dimethoxybenzaldehyde (14382-91-3) → 6,7-dimethoxy-3-nitro-2H-1-benzopyran (129142-21-8)

Guidance literature:

With dibutylamine; In chloroform; at 80 ℃; for 24h;

Reference yield: 62.0%

2-nitro-1-ethanol (625-48-9) + 2-hydroxy-4,5-dimethoxybenzaldehyde (14382-91-3) → 6,7-dimethoxy-3-nitro-2H-1-benzopyran (129142-21-8)

Guidance literature:

With dibutylamine hydrochloride; In various solvent(s); for 8h; Heating;

DOI:10.1016/0223-5234(91)90145-D

upstream raw materials:

1-nitroethylene

2-hydroxy-4,5-dimethoxybenzaldehyde

2-nitro-1-ethanol

Refernces

• 1、 Neirabeyeh, Mamdouh Al,Koussini, Rafik. "New Direct Synthesis of 3-Nitro-2H-chromenes Using Nitroethylene". . p. 783 - 788. Retrieved 2007/10/02.