Ethyl 5-pyrimidinecarboxylate

Ethyl 5-pyrimidinecarboxylate - Names and Identifiers

Name	ethyl pyrimidine-5-carboxylate
Synonyms	Ethyl 5-pyrimidinecarboxylate ethyle5-pyrimidinecarboxylate ethyl pyrimidine-5-carboxylate ETHYL 5-PYRIMIDINECARBOXYLATE 98 5-Pyrimidinecarboxylic acid, ethyl ester
CAS	40929-50-8
InChI	InChI=1/C7H8N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChIKey	YCWDQAKDVQNVAR-UHFFFAOYSA-N

Ethyl 5-pyrimidinecarboxylate - Physico-chemical Properties

Molecular Formula	C7H8N2O2
Molar Mass	152.15
Density	1.16g/mLat 25°C(lit.)
Melting Point	16 °C
Boling Point	103°C12mm Hg(lit.)
Flash Point	221°F
Vapor Presure	0.0383mmHg at 25°C
pKa	1.16±0.10(Predicted)
Storage Condition	Room Temprature
Refractive Index	n20/D 1.495(lit.)
MDL	MFCD03094043

Ethyl 5-pyrimidinecarboxylate - 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.
WGK Germany	3
HS Code	29335995

Ethyl 5-pyrimidinecarboxylate - Introduction

Ethyl pyrimidine-5-carboxylate, also known as acetopyrimidine ester, is an organic compound. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: ethyl pyrimidine-5-carboxylate is a colorless to light yellow solid.
-Solubility: It is easily soluble in common organic solvents such as ethanol, dimethylformamide and dichloromethane.
-Melting point: Its melting point is between 68-70 degrees Celsius.

Use:
- ethyl pyrimidine-5-carboxylate can be used in chemical synthesis, such as the synthesis of a variety of pyrimidine compounds precursor.
-It can also be used as an intermediate for heterocyclic compounds, such as the synthesis of pyrimidinones or pyrimidinamides.

Preparation Method:
Ethyl pyrimidine-5-carboxylate can be prepared by the following steps:
1. Dissolve anhydrous aluminum acetate in dry ethanol.
2. Add 5-chloropyrimidine and excess triethylamine.
3. The reaction mixture was heated to reflux.
4. The reaction mixture was filtered to obtain the intermediate.
5. The intermediate is reacted with diethyl carbonate to obtain the final product.

Safety Information:
- ethyl pyrimidine-5-carboxylate irritant to skin, eyes and mucous membranes and has a pungent odor. During operation, direct contact should be avoided.
-It should be stored in a dry, cool and well-ventilated place, away from fire and oxidizing agents.
-Appropriate protective measures, such as gloves, goggles and protective clothing, must be taken during use or storage.
-If contact or inhalation occurs, rinse immediately with water and seek medical help.
-Follow safe operating procedures and appropriate laboratory practices when storing and handling ethyl pyrimidine-5-carboxylate.

Last Update：2024-04-09 15:17:57