2,6-Dimethylisonicotinic acid

Base Information

Chemical Name:2,6-Dimethylisonicotinic acid
CAS No.:54221-93-1
Molecular Formula:C8H9NO2
Molecular Weight:151.165
Hs Code.:2933399090
European Community (EC) Number:696-213-7
DSSTox Substance ID:DTXSID40403995
Wikidata:Q72471846
Mol file:54221-93-1.mol

Synonyms:2,6-Dimethylisonicotinic acid;54221-93-1;2,6-dimethylpyridine-4-carboxylic Acid;2,6-Dimethyl-isonicotinic acid;2,6-dimethyl-4-pyridinecarboxylic acid;4-PYRIDINECARBOXYLIC ACID, 2,6-DIMETHYL-;MFCD03731176;2,6-DIMETHYLISONICOTINICACID;Oprea1_776810;2,6-dimethyl isonicotinic acid;SCHEMBL1179149;DTXSID40403995;JRJLLMLYUFAZOM-UHFFFAOYSA-N;STL227853;AKOS002665642;AB15854;PS-5417;2,6-Dimethyl-4-pyridine-carboxylic acid;AC-28209;AM804021;SY013015;2,6-dimethylisonicotinic acid, AldrichCPR;2,6-Dimethyl-4-pyridine-carboxylic tau acid;CS-0007511;FT-0646310;EN300-101677;A830044;J-507523;F1371-0184

Suppliers and Price of 2,6-Dimethylisonicotinic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2,6-Dimethylisonicotinicacid
500mg
$ 130.00

TRC
2,6-Dimethylisonicotinicacid
100mg
$ 45.00

SynQuest Laboratories
2,6-Dimethylisonicotinic acid
250 mg
$ 58.00

SynQuest Laboratories
2,6-Dimethylisonicotinic acid
1 g
$ 176.00

SynChem
2,6-DIMETHYLISONICOTINIC ACID 95%
1 g
$ 200.00

Oakwood
2,6-Dimethylisonicotinicacid 95%
250mg
$ 75.00

Matrix Scientific
2,6-Dimethyl-isonicotinic acid 95%+
5g
$ 1091.00

Matrix Scientific
2,6-Dimethyl-isonicotinic acid 95%+
2.500g
$ 720.00

Matrix Scientific
2,6-Dimethyl-isonicotinic acid 95%+
1g
$ 332.00

Frontier Specialty Chemicals
2,6-Dimethyl-4-pyridine-carboxylicacid 97%
1g
$ 50.00

Total 40 raw suppliers

Chemical Property of 2,6-Dimethylisonicotinic acid

Chemical Property:

Vapor Pressure:1.35E-05mmHg at 25°C
Melting Point:281 °C
Refractive Index:1.553
Boiling Point:353.1 °C at 760 mmHg
PKA:2.09±0.10(Predicted)
Flash Point:167.4 °C
PSA：50.19000
Density:1.183 g/cm³
LogP:1.39660
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:151.063328530
Heavy Atom Count:11
Complexity:148

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dimethylisonicotinicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=N1)C)C(=O)O

Technology Process of 2,6-Dimethylisonicotinic acid

There total 11 articles about 2,6-Dimethylisonicotinic 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: 78.0%

: 39965-81-6
2,6-dimethylisonicotinonitrile

: 54221-93-1
2,6-dimethylisonicotinic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 3h; Heating;
DOI:10.1002/chem.200500619

Reference yield:

: 124-38-9,18923-20-1
carbon dioxide

: C₇H₈FNO₃S

: 54221-93-1
2,6-dimethylisonicotinic acid

Guidance literature:: With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 20 ℃; for 20h; under 760.051 Torr; Schlenk technique; Inert atmosphere; Glovebox;
DOI:10.1021/acs.orglett.9b00836

Reference yield:

: 1122-43-6
2,6-dimethyl-3-hydroxypyridine

: 54221-93-1
2,6-dimethylisonicotinic acid

Guidance literature:: Multi-step reaction with 2 steps

1: fluorosulfonyl fluoride; triethylamine / dichloromethane / 24 h / 20 °C / 760.05 Torr

2: bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline; manganese / N,N-dimethyl-formamide / 20 h / 20 °C / 760.05 Torr / Schlenk technique; Inert atmosphere; Glovebox

With manganese; bis(triphenylphosphine)nickel(II) chloride; fluorosulfonyl fluoride; 2.9-dimethyl-1,10-phenanthroline; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/acs.orglett.9b00836