2-(2,2-Dimethyl-propionylamino)-nicotinic acid

Base Information

• Chemical Name: 2-(2,2-Dimethyl-propionylamino)-nicotinic acid
• CAS No.: 125867-25-6
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.244
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50381538
• Wikidata: Q82172424
• Mol file: 125867-25-6.mol

Synonyms:125867-25-6;2-(2,2-Dimethyl-propionylamino)-nicotinic acid;2-pivalamidonicotinic acid;2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid;2-[(2,2-dimethylpropanoyl)amino]nicotinic acid;2-(2,2-dimethylpropanamido)pyridine-3-carboxylic acid;3-PYRIDINECARBOXYLIC ACID, 2-[(2,2-DIMETHYL-1-OXOPROPYL)AMINO]-;2-(2,2,2-Trimethylacetamido)nicotinic acid;Maybridge3_004279;2-pivalamidonicotinicacid;SCHEMBL18640774;AML0031;DTXSID50381538;HMS1443C11;2-(PIVALAMINO)NICOTINIC ACID;CCG-55494;MFCD03659710;AKOS009159312;AB15703;IDI1_015666;AS-80115;2-(2,2-Dimethylpropanylamino)nicotinic acid;CS-0132241;FT-0610782;SR-01000644516-1;2-(2,2-Dimethyl-propionylamino)-nicotinic acid, AldrichCPR;3-Pyridinecarboxylicacid,2-[(2,2-dimethyl-1-oxopropyl)amino]-

Chemical Property of 2-(2,2-Dimethyl-propionylamino)-nicotinic acid

Chemical Property:

• Vapor Pressure: 7.18E-09mmHg at 25°C
• Melting Point: 280oC
• Boiling Point: 449.6°Cat760mmHg
• Flash Point: 225.7°C
• PSA: 79.29000
• Density: 1.249g/cm³
• LogP: 1.83740
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 283

Purity/Quality:

97% ^*data from raw suppliers

2-(2,2-Dimethyl-propionylamino)-nicotinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=O)O

Technology Process of 2-(2,2-Dimethyl-propionylamino)-nicotinic acid

There total 1 articles about 2-(2,2-Dimethyl-propionylamino)-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: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 2-(pivaloylamino)pyridine (86847-59-8) → 2-pivaloylaminopyridine-3-carboxylic acid (125867-25-6)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; hexane; 1.) -10 degC, 2 h, 2.) 1 h;

DOI:10.1002/jhet.5570260119

upstream raw materials:

carbon dioxide

2-(pivaloylamino)pyridine