4-Methylnicotinic acid
- Product Name
- 4-Methylnicotinic acid
- CAS No.
- 3222-50-2
- Chemical Name
- 4-Methylnicotinic acid
- Synonyms
- NSC22592;AKOS BBS-00002964;RARECHEM AL BO 2391;IFLAB-BB F1957-0023;4-METHYLNICOTINIC ACID;4-Methylnicotinic acid ,97%;4-Methylnicotinic acid, 97.5%;4-methylpyridine-3-carboxylicaci;4-Methylpyridin-3-carboxylic acid;4-Methyl-3-pyridinecarboxylic acid
- CBNumber
- CB6734880
- Molecular Formula
- C7H7NO2
- Formula Weight
- 137.14
- MOL File
- 3222-50-2.mol
4-Methylnicotinic acid Property
- Melting point:
- 217-221 °C
- Boiling point:
- 304.1±22.0 °C(Predicted)
- Density
- 1.230±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1.67±0.25(Predicted)
- form
- Crystalline Powder
- color
- White to tan
- InChI
- InChI=1S/C7H7NO2/c1-5-2-3-8-4-6(5)7(9)10/h2-4H,1H3,(H,9,10)
- InChIKey
- ZKUZSTXNVMIDCY-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C)=C1C(O)=O
- CAS DataBase Reference
- 3222-50-2(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 656410
- Product name
- 4-Methylpyridine-3-carboxylic acid
- Purity
- 97%
- Packaging
- 1g
- Price
- $214
- Updated
- 2023/06/20
- Product number
- M321275
- Product name
- 4-MethylnicotinicAcid
- Packaging
- 5g
- Price
- $100
- Updated
- 2021/12/16
- Product number
- W5407
- Product name
- 4-Methylnicotinicacid
- Packaging
- 1g
- Price
- $21
- Updated
- 2021/12/16
- Product number
- JK294109
- Product name
- 4-Methylnicotinicacid
- Packaging
- 250mg
- Price
- $71
- Updated
- 2021/12/16
- Product number
- 4H21-1-95
- Product name
- 4-Methylnicotinic acid
- Packaging
- 1g
- Price
- $90
- Updated
- 2021/12/16
4-Methylnicotinic acid Chemical Properties,Usage,Production
Chemical Properties
White powder
Uses
4-Methylnicotinic Acid is used in the synthesis of nicotinic acid substituted nicotinic acid adenine dinucleotide phosphate analogs.
Synthesis
5444-01-9
3222-50-2
General procedure for the synthesis of 4-methylpyridine-3-carboxylic acid from 3-cyano-4-methylpyridine: 3-cyano-4-methylpyridine (1.2 kg, 10.2 mol) was added to a mixture of sodium hydroxide (1.6 kg, 40.6 mol) and 70% aqueous ethanol solution (7.2 L). The reaction mixture was stirred under reflux conditions for 2 hours. After completion of the reaction, the mixture was cooled to room temperature and acidified by slow dropwise addition of concentrated hydrochloric acid (4.06 L). Subsequently, the solvent was removed under reduced pressure to give a white solid product. Ethanol (10 L) was added to the residue, heated to reflux and maintained for 10 min. After thermal filtration, ethanol was evaporated under reduced pressure at 20 mmHg to give 4-methylpyridine-3-carboxylic acid as a white solid (1.33 kg, 96% yield). Melting point: 215-216°C (literature value 215-217°C). IR (KBr, cm^-1): 2423 (O-H stretching vibration), 1721 (C=O stretching vibration). 1H NMR (DMSO-d6, 300 MHz): δ 11.9 (broad single peak, 1H, COOH), 9.00 (single peak, 1H, pyridine ring H), 9.00 (single peak, 1H, pyridine ring H). 8.72 (double peak, J = 4.9 Hz, 1H, pyridine ring H), 7.67 (double peak, J = 4.9 Hz, 1H, pyridine ring H), 2.67 (single peak, 3H, CH3).13C NMR (DMSO-d6, 75 MHz): δ 179.7 (COOH), 166.4, 153.9, 148.2, 147.6, 128.3 (pyridine ring C), 21.4 (CH3).MS (ESI): m/z 138.1 [M + H]+, 136.1 [M - H]-.
References
[1] Letters in Organic Chemistry, 2016, vol. 13, # 6, p. 450 - 452
[2] Tetrahedron, 2013, vol. 69, # 33, p. 6799 - 6803
[3] Journal of the American Chemical Society, 1944, vol. 66, p. 1456,1458
[4] Journal of the American Chemical Society, 1943, vol. 65, p. 2233,2235
[5] Canadian Journal of Chemistry, 1983, vol. 61, p. 2813 - 2820
4-Methylnicotinic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Methylnicotinic acid manufacturers
- Product
- 4-Methylnicotinic acid 3222-50-2
- Price
- US $1.10-9.90/kg
- Min. Order
- 1kg
- Purity
- 99%min
- Supply Ability
- 100kg
- Release date
- 2025-08-18
- Product
- 4-Methylnicotinic acid 3222-50-2
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons min
- Release date
- 2021-08-26
- Product
- 4-Methylnicotinic acid 3222-50-2
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-11