| Identification | More | [Name]
3-Methylpyridine-2-carboxylic acid | [CAS]
4021-07-2 | [Synonyms]
3-METHYL-2-PYRIDINECARBOXYLIC ACID
3-METHYL-ALPHA-PICOLINIC ACID
3-METHYL-A-PICOLINIC ACID
3-METHYLPICOLINIC ACID
3-METHYLPYRIDINE-2-CARBOXYLIC ACID
RARECHEM AL BO 0827
Methylpicolinicacid
3-METHYL-2-CARBOXYLIC ACID PYRIDINE
3-METHYLPYRIDINE-2-CARBOXYLIC AICD
3-METHYLPICOLINIC ACID 97%
3-Methylpicoline Acid | [EINECS(EC#)]
626-781-3 | [Molecular Formula]
C7H7NO2 | [MDL Number]
MFCD00191553 | [Molecular Weight]
137.14 | [MOL File]
4021-07-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
114-118 °C
| [Boiling point ]
300.6±22.0 °C(Predicted) | [density ]
1.230±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
1.11±0.50(Predicted) | [color ]
White to tan | [InChI]
InChI=1S/C7H7NO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10) | [InChIKey]
LMHIBYREWJHKNZ-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)=NC=CC=C1C | [CAS DataBase Reference]
4021-07-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [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:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
3-Methylpyridine-2-carboxylic acid (3-MepicH) may be used as a ligand in the synthesis of the following metal complexes:
- [Cu(3-Mepic)2(4-pic)] where 4-pic=4-picoline and [Cu(3-Mepic)2]·2H2O
- [Co(3-Mepic)3]
- [Ni(3-Mepic)2(H2O)2]
- bis(3-methyl-picolinato-κ2 N,O)(1,10-phenanthroline)zinc(II) tetrahydrate
| [Definition]
ChEBI: 3-Methylpicolinic acid is a member of pyridines and an aromatic carboxylic acid. | [General Description]
3-Methylpyridine-2-carboxylic acid, also known as 3-methylpicolinic acid (3-MepicH), is a 3-substituted picolinic acid. The dianion formed by reacting 3-MepicH with lithium diisopropylamide (LDA) can undergo C-alkylation with 3-chlorobenzyl chloride. | [Synthesis]
Synthesis of II-1-2:3-methylpyridine carboxylic acid
2.00 g (19 mmol) of 2-cyano-3-methylpyridine was dissolved in 90% sulfuric acid and the resulting solution was heated and stirred at 120°C for 2 hours. After completion of the reaction, the reaction solution was cooled to 20 °C to 25 °C and a solution of 4.00 g of sodium sulfite dissolved in 8 ml of water was slowly added dropwise. After the dropwise addition was completed, the reaction mixture was continued to be stirred at the same temperature for 1.5 hours, and then warmed up to 75°C-85°C and kept for 1.5 hours. After the reaction solution was cooled, the pH was adjusted to about 3 with sodium carbonate and extracted with chloroform. The organic phases were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 1.38 g of solid product. The solid was purified by solvent recrystallization from a mixture of ethyl acetate-hexane to give the final pure product (54.0% yield). The melting point of the product was 115.5°-116.5°C and IR (KBr) showed characteristic absorption peaks: 3350, 1650, 1590 cm-1 . | [References]
[1] Tetrahedron, 2013, vol. 69, # 33, p. 6799 - 6803
[2] Patent: US5219847, 1993, A
[3] Journal of the American Chemical Society, 1952, vol. 74, p. 5967,5969
[4] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 7, p. 1501 - 1505
[5] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 1, p. 498 - 509 |
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