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4021-08-3

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4021-08-3 Structure

4021-08-3 Structure
IdentificationMore
[Name]

4-METHYL-PYRIDINE-2-CARBOXYLIC ACID
[CAS]

4021-08-3
[Synonyms]

4-METHYLPICOLINIC ACID
4-METHYL-PYRIDINE-2-CARBOXYLIC ACID
RARECHEM AL BO 2389
4-Methylpyridine-2-carboxylic acid 97%
4-Methylpicolinic acid ,97%
[Molecular Formula]

C7H7NO2
[MDL Number]

MFCD03731175
[Molecular Weight]

137.14
[MOL File]

4021-08-3.mol
Chemical PropertiesBack Directory
[Melting point ]

137-141 °C
[Boiling point ]

307.4±22.0 °C(Predicted)
[density ]

1.230±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

1.11±0.50(Predicted)
[color ]

White to Light yellow
[Detection Methods]

HPLC
[CAS DataBase Reference]

4021-08-3(CAS DataBase Reference)
[Storage Precautions]

Store under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk 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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Dichloromethane-->Acetic acid-->Petroleum ether-->Potassium carbonate-->Sodium sulfate-->Hydrogen peroxide-->Dimethyl sulfate-->POTASSIUM CYANIDE-->3-Chloroperoxybenzoic acid-->Dimethylcarbamoyl chloride-->Trimethylsilyl cyanide-->4-Methylpyridine
[Preparation Products]

Argatroban-->2-Bromo-4-methylpyridine-->2-Methylpropanedioic acid-->4-Bromo-N-methoxy-N-methylpicolinamide
Hazard InformationBack Directory
[Chemical Properties]

White to light brown solid
[Uses]

4-Methylpyridine-2-carboxylic acid is a used in biological studies for the mutasynthesis of potential neuroprotectant derivatives of the bipyridyl collismycin A.
[Synthesis]

2-CYANO-4-METHYLPYRIDINE

1620-76-4

4-METHYL-PYRIDINE-2-CARBOXYLIC ACID

4021-08-3

General procedure for the synthesis of 4-methylpyridine-2-carboxylic acid from 2-cyano-4-methylpyridine: 2-cyano-4-methylpyridine (0.15 g, 1.27 mmol) was dissolved in about 10 mL of 6 M hydrochloric acid and heated and refluxed for 24 hours. During the reaction, the solution gradually changed from the initial pale yellow color to clear. Upon completion of the reaction, the solution was evaporated to dryness to give a white solid product. Purification by recrystallization from a minimal amount of distilled water resulted in 148 mg (85% yield) of 4-methylpyridine-2-carboxylic acid. The product was characterized by 1H NMR (DMSO-d6): δ = 8.65 (1H, s), 8.06 (1H, s), 7.66 (1H, s), 2.05 (3H, s).

[References]

[1] Patent: WO2008/17855, 2008, A1. Location in patent: Page/Page column 49
[2] Patent: WO2008/17855, 2008, A1. Location in patent: Page/Page column 49
[3] Patent: US5219847, 1993, A
[4] Advanced Synthesis and Catalysis, 2013, vol. 355, # 5, p. 947 - 956
[5] Patent: US6251919, 2001, B1
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYL-PYRIDINE-2-CARBOXYLIC ACID(4021-08-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4021-08-3(sigmaaldrich)
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