3,6-Dimethylpyrazine-2-carboxylic acid

Base Information

• Chemical Name: 3,6-Dimethylpyrazine-2-carboxylic acid
• CAS No.: 2435-46-3
• Molecular Formula: C7H8 N2 O2
• Molecular Weight: 152.153
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50590845
• Nikkaji Number: J2.297.691E
• Wikidata: Q72471709
• Mol file: 2435-46-3.mol

Synonyms:3,6-dimethylpyrazine-2-carboxylic acid;2435-46-3;pyrazinecarboxylic acid, 3,6-dimethyl- (7ci,9ci);MFCD13174793;3,6-Dimethyl-pyrazinecarboxylic acid;3,6-dimethylpyrazine-2-carboxylicacid;SCHEMBL2408636;DTXSID50590845;3,6-Dimethyl-pyrazinecarboxylicacid;AKOS016006935;pyrazinecarboxylic acid,3,6-dimethyl-;DS-2561;AC-25168;DA-17142;SY105792;CS-0005514;A817244

Chemical Property of 3,6-Dimethylpyrazine-2-carboxylic acid

Chemical Property:

• Melting Point: 114-115 °C
• Boiling Point: 295.7±35.0 °C(Predicted)
• PKA: 3.37±0.10(Predicted)
• PSA: 63.08000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 0.79160
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

3,6-dimethylpyrazine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C(=N1)C(=O)O)C

Technology Process of 3,6-Dimethylpyrazine-2-carboxylic acid

There total 4 articles about 3,6-Dimethylpyrazine-2-carboxylic 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:

carbon dioxide (124-38-9,18923-20-1) + 2,5-dimethyl-3-iodo-pyrazine (59021-15-7) → 3,6-dimethyl-pyrazine-2-carboxylic acid (2435-46-3)

Guidance literature:

2,5-dimethyl-3-iodo-pyrazine; With n-butyllithium; In diethyl ether; hexane; at -35 ℃; for 0.166667h;

carbon dioxide; With sodium hydroxide; In water;

With hydrogenchloride; In water;

Reference yield:

2-ethyl-3,6-dimethylpyrazine (13360-65-1) → 3,6-dimethyl-pyrazine-2-carboxylic acid (2435-46-3)

Guidance literature:

With potassium permanganate;

Reference yield:

3,6,3',6'-Tetramethyl-[2,2']bipyrazinyl → 3,6-dimethyl-pyrazine-2-carboxylic acid (2435-46-3) + 3,3',6'-trimethyl-[2,2']bipyrazinyl-6-carboxylic acid

Guidance literature:

With potassium permanganate;

upstream raw materials:

2-ethyl-3,6-dimethylpyrazine

carbon dioxide

2,5-dimethyl-3-iodo-pyrazine

Downstream raw materials:

2,5-dimethyl-pyrazine

methylammonium carbonate