4-Carboethoxypyridine
Ethyl isonicotinate
CAS: 1570-45-2
Molecular Formula: C8H9NO2
4-Carboethoxypyridine - Names and Identifiers
| Name | Ethyl isonicotinate |
| Synonyms | ETHYL ISONICOTINATE Ethyl isonicotinate 4-Carbethoxypyridine 4-Carboethoxypyridine ETHYL 4-PYRIDINECARBONATE ETHYL PYRIDINE-4-CARBOXYLATE Ethyl pyridine-4-carboxylate Isonicotinic acid ethyl ester pyridine-4-carboxylicacidethylester 4-PYRIDINECARBOXYLIC ACID ETHYL ESTER gamma-Pyridinecarboxylic acid ethyl ester Ethyl isonicotinate,(Ethyl pyridine-4-carboxylate |
| CAS | 1570-45-2 |
| EINECS | 216-379-2 |
| InChI | InChI=1/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3 |
| InChIKey | MCRPKBUFXAKDKI-UHFFFAOYSA-N |
4-Carboethoxypyridine - Physico-chemical Properties
| Molecular Formula | C8H9NO2 |
| Molar Mass | 151.16 |
| Density | 1.009 g/mL at 25 °C (lit.) |
| Melting Point | 23°C |
| Boling Point | 92 °C/8 mmHg (lit.) |
| Flash Point | 190°F |
| Water Solubility | immiscible |
| Solubility | H2O: soluble |
| Vapor Presure | 17.9Pa at 25℃ |
| Appearance | Oil |
| Color | Clear Colorless |
| Merck | 14,5187 |
| BRN | 122942 |
| pKa | pK1:3.45(+1) (25°C) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.501(lit.) |
| Physical and Chemical Properties | Density 1.009 boiling point 92°C (8 mmHg) refractive index 5019 flash point 87°C water-soluble immiscible |
| Use | Used as a pharmaceutical Intermediate |
4-Carboethoxypyridine - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | NA 1993 / PGIII |
| WGK Germany | 3 |
| RTECS | NS1450000 |
| TSCA | Yes |
| HS Code | 29333999 |
4-Carboethoxypyridine - Reference Information
| LogP | 1.43 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | Isonicotinic acid ethyl ester can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development process and chemical generation process. |
| preparation | Isonicotinic acid was sequentially added to a 250 three-necked bottle 4. 9g( 0.04 mo l), anhydrous ethanol 40 mL, the corresponding amount of concentrated H2SO4, phase transfer catalyst; Respectively equipped with a stirrer, distillation device. The mixture was heated under stirring, gradually raised to a temperature, ethanol was distilled to a desired liquid temperature, heating was stopped, natural temperature was lowered, and poured out at about 50 ° C. The reactant was a white solid at room temperature. Neutralize the product with saturated Na2CO3 aqueous solution to a pH of about 7 (if the volume is too large, add part of solid Na2CO3 ), extract with 20 mL of chloroform, and transfer the combined organic layers to a vacuum distillation flask, the chloroform was recovered under normal pressure and then the ethyl isonicotinate was distilled under reduced pressure. 06 Pa k 92~95 deg C fractions were collected, weighed, calculate the 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 99% |
| Use | for pharmaceutical intermediates |
Last Update：2024-04-09 02:00:04
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