Ethyl 2-cyanoisonicotinate
- Product Name
- Ethyl 2-cyanoisonicotinate
- CAS No.
- 58481-14-4
- Chemical Name
- Ethyl 2-cyanoisonicotinate
- Synonyms
- Ethyl 2-cyanoiso;Ethyl 2-cyanoisonicotite;Ethyl 2-cyanoisonicotinate;Ethyl 2-cyanoisonicotinate 95+%;2-Cyanoisonicotinate ethyl ester;2-Cyanoisonicotinic acid ethyl ester;2-Cyano-4-pyridinecarboxylic Acid Ethyl Ester;4-Pyridinecarboxylic acid, 2-cyano-, ethyl ester;Topipristal impurity 9(Ethyl 2-cyanoisoniacinic acid)
- CBNumber
- CB82550389
- Molecular Formula
- C9H8N2O2
- Formula Weight
- 176.17
- MOL File
- 58481-14-4.mol
Ethyl 2-cyanoisonicotinate Property
- Melting point:
- 42-44℃
- Density
- 1.21
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light brown to gray Solid
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.
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.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- C987550
- Product name
- 2-Cyano-4-pyridinecarboxylicAcidEthylEster
- Packaging
- 5g
- Price
- $1260
- Updated
- 2021/12/16
- Product number
- 119034
- Product name
- Ethyl 2-cyanoisonicotinate
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $180
- Updated
- 2021/12/16
- Product number
- 4H37-1-25
- Product name
- Ethyl 2-cyanoisonicotinate
- Packaging
- 1g
- Price
- $183
- Updated
- 2021/12/16
- Product number
- W7157
- Product name
- Ethyl2-cyanoisonicotinate
- Packaging
- 5g
- Price
- $323
- Updated
- 2021/12/16
- Product number
- JK287908
- Product name
- Ethyl2-cyanopyridine-4-carboxylate
- Purity
- 97%
- Packaging
- 1g
- Price
- $335
- Updated
- 2021/12/16
Ethyl 2-cyanoisonicotinate Chemical Properties,Usage,Production
Chemical Properties
Light yellow solid
Uses
2-Cyano-4-pyridinecarboxylic Acid Ethyl Ester, can be used in the synthesis of various pharmaceutical compounds, such as tuberculostatic drugs of the isonicotinic acid hydrazide type.
Synthesis
557-21-1
14906-37-7
58481-14-4
A reaction mixture was prepared in toluene (40 mL) using 4-(ethoxycarbonyl)pyridine-1-oxide (3.64 g, 21.82 mmol), dimethylformamide dimethyl acetal (3.01 mL, 32.73 mmol) and zinc cyanide (3.84 g, 32.73 mmol). The mixture was heated to reflux for 2 h under argon protection. After the reaction was completed, it was cooled to room temperature, water (30 mL) was added and stirring was continued for 15 minutes. The organic layer was separated, washed with brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give a brown solid. Subsequently, purification by silica gel column chromatography using ethyl acetate:petroleum ether (2:1, v/v) as eluent afforded a yellow oil which solidified to an orange solid (3.28 g, 85% yield) in an ice bath. The melting point of the product was 39-40 °C (literature value 42-44 °C). Infrared spectrum (KBr) νmax: 2988, 2964, 2238, 1728, 1597, 1557, 1470, 1402, 1393, 1370, 1298, 1281, 1202, 1113, 1015, 990, 918, 890, 862, 763, 686 cm-1. NMR Hydrogen Spectroscopy (300 MHz , CDCl3) δ: 8.90 (1H, dd, J=4.9, 0.9 Hz, pyridine-H), 8.25 (1H, dd, J=1.5, 0.9 Hz, pyridine-H), 8.10 (1H, dd, J=4.9, 1.5 Hz, pyridine-H), 4.47 (2H, q, J=7.1 Hz, OCH2), 1.44 (3H, t, J=7.1 Hz, OCH2), 1.44 (3H, t J=7.1 Hz, CH3). NMR carbon spectrum (75 MHz, CDCl3) δ: 163.1 (C=O), 151.9, 139.0, 134.7, 127.6, 126.1, 116.6 (CN), 62.6 (OCH2), 14.1 (CH3). High resolution mass spectrometry (ESI): [M+H]+ measured value 177.0659, C9H9N2O2 calculated value 177.0659.The NMR data are in agreement with literature reports.
References
[1] Tetrahedron, 2016, vol. 72, # 51, p. 8470 - 8478
Ethyl 2-cyanoisonicotinate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Ethyl 2-cyanoisonicotinate manufacturers
- Product
- Ethyl 2-cyanoisonicotinate 58481-14-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-03