Introduction：Basic information about Ethyl isonicotinate CAS 1570-45-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl isonicotinate Basic information
| Product Name: | Ethyl isonicotinate |
| Synonyms: | 4-Carbethoxypyridine;4-Carboethoxypyridine;4-PYRIDINECARBOXYLIC ACID ETHYL ESTER;gamma-Pyridinecarboxylic acid ethyl ester;pyridine-4-carboxylicacidethylester;ETHYL PYRIDINE-4-CARBOXYLATE;ETHYL ISONICOTINATE;ETHYL 4-PYRIDINECARBONATE |
| CAS: | 1570-45-2 |
| MF: | C8H9NO2 |
| MW: | 151.16 |
| EINECS: | 216-379-2 |
| Product Categories: | CARBOXYLICESTER;C7 and C8;Heterocyclic Building Blocks;Pyridines;Building Blocks;C8;Chemical Synthesis;Heterocyclic Building Blocks;1570-45-2;john's |
| Mol File: | 1570-45-2.mol |
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Ethyl isonicotinate Chemical Properties
| Melting point | 23°C |
| Boiling point | 92 °C/8 mmHg (lit.) |
| density | 1.009 g/mL at 25 °C (lit.) |
| vapor pressure | 17.9Pa at 25℃ |
| refractive index | n20/D 1.501(lit.) |
| Fp | 190 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | H2O: soluble |
| pka | pK1:3.45(+1) (25°C) |
| form | Oil |
| color | Clear Colorless |
| Water Solubility | immiscible |
| Merck | 14,5187 |
| BRN | 122942 |
| Dielectric constant | 8.9499999999999993 |
| InChI | 1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3 |
| InChIKey | MCRPKBUFXAKDKI-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccncc1 |
| LogP | 1.43 |
| CAS DataBase Reference | 1570-45-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Pyridinecarboxylic acid, ethyl ester(1570-45-2) |
| EPA Substance Registry System | 4-Pyridinecarboxylic acid, ethyl ester (1570-45-2) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 3 |
| RTECS | NS1450000 |
| TSCA | TSCA listed |
| HS Code | 29333999 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
Ethyl isonicotinate Usage And Synthesis
| Chemical Properties | clear colorless to light brown liquid |
| Uses | Ethyl isonicotinate is an organic building block, used in the synthesis of various pharmaceutical and biologically active compounds. It is also a pyridine compound that is shown to be able to trap the thrips in the corp. |
| Safety Profile | Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx. |
| Synthesis | In a 250 mL three-necked flask was added isonicotinic acid 4. 9 g ( 0.04 mo l), anhydrous ethanol 40 mL, the corresponding amount of concentrated H2SO4, phase transfer catalyst; respectively, a stirrer and a distillation device were installed. Heated with stirring, gradually increased the temperature, evaporated ethanol to the required liquid temperature, stopped heating, natural cooling, poured out at about 50 ?? C. The reactants were white solid at room temperature. With saturated Na2CO3 aqueous solution to neutralize the product to pH about 7 (such as the volume is too large can be added to part of the solid Na2CO3 ), to 20 mL of chloroform extraction, the combined organic layer was transferred to the decompression distillation flask, the first recovery of chloroform at atmospheric pressure and then decompression distillation of ethyl isonicotinate at 1. 06 k Pa to collect the 92 ~ & nbsp; 95 ?? C fractions, weighed, calculated yield. The product was a slightly yellow liquid (colorless after refining), bp 92 ~ 95 ??C /1. 06 k Pa, n20D = 1. 5005; Infrared spectrum: IR (cm- 1 ) 1733 ( C= O) 1283 ( C- O- C), purity is 99%. |
Ethyl isonicotinate Preparation Products And Raw materials
| Raw materials | Isonicotinicacidpotassiumsalt-->4-Pyridinecarboxylic acid, ethyl ester, hydrochloride-->Isonicotinic acid chloride-->ETHYL 2-BROMOISONICOTINATE-->Ethyl isonicotinate N-oxide-->ETHYL 2-CHLOROISONICOTINATE-->Bromoethane-->Isonicotinic acid |
| Preparation Products | ETHYL 2-CYANOPYRIDINE-4-CARBOXYLATE-->3-METHOXY-4-PYRIDINECARBOXYLIC ACID-->2-CYANO-4-PYRIDINE CARBOXYLIC ACID-->ETHYL ISONICOTINOYLACETATE-->4-Pyridylcarbinol-->1-azabicyclo[2.2.1]heptane-->Telatinib-->3-(Pyridin-4-yl)dihydrofuran-2(3H)-one |
