5-(Methylamino)nicotinic acid

Base Information

• Chemical Name: 5-(Methylamino)nicotinic acid
• CAS No.: 91702-88-4
• Molecular Formula: C₇H₈N₂O₂
• Molecular Weight: 152.153
• Hs Code.: 2933399090
• European Community (EC) Number: 869-050-6
• DSSTox Substance ID: DTXSID80365987
• Nikkaji Number: J2.977.184G
• Wikidata: Q82151031
• ChEMBL ID: CHEMBL1588120
• Mol file: 91702-88-4.mol

Synonyms:5-(METHYLAMINO)NICOTINIC ACID;91702-88-4;5-(methylamino)pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 5-(methylamino)-;CHEMBL1588120;MFCD04971939;SarafloxacinHydrochloride;5-methylamino-nicotinic acid;MLS000685973;SCHEMBL185398;DTXSID80365987;XZSWHQCDTYJZJA-UHFFFAOYSA-N;HMS1655N15;BDBM50121999;AKOS005206731;SB52595;AS-31551;SMR000324846;SY003374;FT-0764058;EN300-237791;A860256;F1926-0020;Z1198165175

Chemical Property of 5-(Methylamino)nicotinic acid

Chemical Property:

• Vapor Pressure: 2.19E-06mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 378ºC at 760 mmHg
• Flash Point: 182.4ºC
• PSA: 62.22000
• Density: 1.327g/cm3
• LogP: 0.89450
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

5-(Methylamino)nicotinicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CN=CC(=C1)C(=O)O

Technology Process of 5-(Methylamino)nicotinic acid

There total 4 articles about 5-(Methylamino)nicotinic 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: 93.0%

methyl 5-(methylamino)pyridine-3-carboxylate (91702-86-2) → 5-(methylamino)nicotinic acid (91702-88-4)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 20 ℃; for 17h; Inert atmosphere;

DOI:10.3987/COM-11-12290

Reference yield:

5-bromo-3-pyridinecarboxylic acid (20826-04-4) → methyl 5-(methylamino)pyridine-3-carboxylate (91702-86-2) + 5-(methylamino)nicotinic acid (91702-88-4)

Guidance literature:

With methylamine; In water;

Reference yield:

3,5-dibromopyridine (625-92-3) → 5-(methylamino)nicotinic acid (91702-88-4)

Guidance literature:

Multi-step reaction with 3 steps

1: water / 46 h / 190 °C

2: dichloro[2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II); triethylamine / 23 h / 100 °C / 3000.3 Torr / Inert atmosphere; Autoclave

3: lithium hydroxide monohydrate / methanol; water / 17 h / 20 °C / Inert atmosphere

With dichloro[2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II); lithium hydroxide monohydrate; triethylamine; In methanol; water;

DOI:10.3987/COM-11-12290

upstream raw materials:

5-bromo-3-pyridinecarboxylic acid

3,5-dibromopyridine

3-(methylamino)-5-bromopyridine

methyl 5-(methylamino)pyridine-3-carboxylate

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