Methyl 2-methoxy-5-nitronicotinate

Base Information

• Chemical Name: Methyl 2-methoxy-5-nitronicotinate
• CAS No.: 122433-50-5
• Molecular Formula: C8H8N2O5
• Molecular Weight: 212.16000
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40559522
• Wikidata: Q82442268
• Mol file: 122433-50-5.mol

Synonyms:Methyl 2-methoxy-5-nitronicotinate;122433-50-5;Methyl 2-methoxy-5-nitropyridine-3-carboxylate;methyl 2-Methoxy-5-nitronicotinic acid;2-Methoxy-3-carbomethoxy-5-nitropyridine;SCHEMBL8326765;2-methoxy-5-nitro-3-Pyridinecarboxylic acid methyl ester;DTXSID40559522;DMKVLUGRWNKURX-UHFFFAOYSA-N;Methyl2-methoxy-5-nitronicotinate;3-Pyridinecarboxylic acid, 2-methoxy-5-nitro-, methyl ester;XEA43350;MFCD18382764;AB75479;BS-21271;CS-0081091;2-methoxy-5-nitro-nicotinic acid methyl ester

Chemical Property of Methyl 2-methoxy-5-nitronicotinate

Chemical Property:

• PSA: 94.24000
• LogP: 1.30820
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 212.04332136
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-methoxy-5-nitronicotinate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)OC

Technology Process of Methyl 2-methoxy-5-nitronicotinate

There total 2 articles about Methyl 2-methoxy-5-nitronicotinate 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: 61.0%

2-methoxynicotinic acid methyl ester (67367-26-4) → methyl 5-nitro-2-methoxynicotinate (122433-50-5)

Guidance literature:

With ammonium nitrate; trifluoroacetic anhydride; for 2h;

DOI:10.1021/jm00169a005

Reference yield:

→ methyl 5-nitro-2-methoxynicotinate (122433-50-5)

Guidance literature:

Reference yield: 95.0%

Pearlman's catalyst (palladium hydroxide + methyl 5-nitro-2-methoxynicotinate (122433-50-5) → methyl 5-amino-2-methoxynicotinate (122433-51-6)

Guidance literature:

With hydrogen; In methanol;

upstream raw materials:

2-methoxynicotinic acid methyl ester

Downstream raw materials:

methyl 5-amino-2-methoxynicotinate

5-fluoro-2-methoxynicotinic acid methyl ester