ChemicalBook > CAS DataBase List > 3-Cyano-4-methylpyridine
3-Cyano-4-methylpyridine
- Product Name
- 3-Cyano-4-methylpyridine
- CAS No.
- 5444-01-9
- Chemical Name
- 3-Cyano-4-methylpyridine
- Synonyms
- NSC 19882;3-Cyano-4-methyL;4-Methylnicotinyl;3-Cyano-4-picoline;4-Methylnicotinotrile;4-METHYLNICOTINONITRILE;3-CYANO-4-METHYLPYRIDINE;3-Cyano-4-methylpyridine >3-Cyano-4-methylpyridine ,98%;4-Methylpyridine-3-carbonitrile
- CBNumber
- CB1333509
- Molecular Formula
- C7H6N2
- Formula Weight
- 118.14
- MOL File
- 5444-01-9.mol
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3-Cyano-4-methylpyridine Property
- Melting point:
- 41-44°C
- Boiling point:
- 108-111°C 20mm
- Density
- 1.08±0.1 g/cm3(Predicted)
- Flash point:
- 108-111°C/20mm
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.45±0.18(Predicted)
- color
- White to Orange to Green
- BRN
- 112016
- InChI
- InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3
- InChIKey
- XLAPHZHNODDMDD-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C)=C1C#N
- CAS DataBase Reference
- 5444-01-9(CAS DataBase Reference)
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Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20/21/22-36/37/38-36/38-22
- Safety Statements
- 22-36/37/39-36-26-36/37
- RIDADR
- 3439
- Hazard Note
- Harmful
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29333990
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P501Dispose of contents/container to..…
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N-Bromosuccinimide Price
TCI Chemical
- Product number
- C2608
- Product name
- 3-Cyano-4-methylpyridine
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $54
- Updated
- 2025/07/31
TCI Chemical
- Product number
- C2608
- Product name
- 3-Cyano-4-methylpyridine
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $187
- Updated
- 2025/07/31
TRC
- Product number
- C987495
- Product name
- 3-Cyano-4-methylpyridine
- Packaging
- 500mg
- Price
- $120
- Updated
- 2021/12/16
SynQuest Laboratories
- Product number
- 3H37-1-3N
- Product name
- 4-Methylnicotinonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $16
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 011111
- Product name
- 3-Cyano-4-methylpyridine
- Purity
- 98%
- Packaging
- 5g
- Price
- $24
- Updated
- 2021/12/16
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3-Cyano-4-methylpyridine Chemical Properties,Usage,Production
Uses
3-Cyano-4-methylpyridine, is an intermediate for the synthesis of various pharmaceutical compounds, including inhibitors and anticancer agents. It can be used for the preparation of a series of azaindenoisoquinoline topoisomerase I I inhibitors and potential anticancer agents.
Synthesis
875-35-4
5444-01-9
General procedure for the synthesis of 3-cyano-4-methylpyridine (112) from 3-cyano-4-methyl-2,6-dichloropyridine (Ref. J. Org. Chem. 1960, 25, 560-564): palladium dichloride (50 mg, 0.3 mmol) was added to a degassed 3-cyano-4-methyl-2,6-dichloropyridine (5.0 g, 27 mmol) and sodium acetate (4.5 g, 55 mmol) in a methanol (100 mL) solution. The reaction mixture was stirred under hydrogen (1 atm) atmosphere for 14 hours at room temperature. After completion of the reaction, the precipitate was filtered and washed with methanol (3 x 20 mL). The filtrates were combined, the solvent was removed by evaporation under reduced pressure and chloroform (50 mL) was added to the residue. The chloroform solution was filtered through a thin silica gel pad and the silica gel pad was washed with additional chloroform. The filtrate was evaporated to dryness to afford 3-cyano-4-methylpyridine (112) (2.9 g, 93% yield) as a yellow oil. The product was characterized by 1H NMR (300 MHz, DMSO-d6): δ 8.77 (s, 1H), 8.63 (s, J = 6.0 Hz, 1H), 7.3 (d, J = 6.0 Hz, 1H), 2.56 (s, 3H). The resulting 3-cyano-4-methylpyridine (112) can be used in subsequent reactions without further purification.
References
[1] Journal of Medicinal Chemistry, 2012, vol. 55, # 4, p. 1682 - 1697
[2] Patent: US2014/18360, 2014, A1. Location in patent: Paragraph 0146
[3] Patent: EP1348706, 2003, A1. Location in patent: Page/Page column 36
[4] Letters in Organic Chemistry, 2016, vol. 13, # 6, p. 450 - 452
3-Cyano-4-methylpyridine Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Cyano-4-methylpyridine manufacturers
Shaanxi Dideu New Materials Co. Ltd
- Product
- 3-Cyano-4-methylpyridine 5444-01-9
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1000kg
- Release date
- 2025-07-05
Henan Fengda Chemical Co., Ltd
- Product
- 3-Cyano-4-methylpyridine 5444-01-9
- Price
- US $5.00-0.10/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-04-08
Dideu Industries Group Limited
- Product
- 3-Cyano-4-methylpyridine 5444-01-9
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-10-14
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