Ethyl 2-pyrimidinylacetate

Basic Information

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CAS Number

63155-11-3

Molecular Formula

C8H10N2O2

Molecular Weight

166.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

238 ºC

Density

1.144

Flash Point

98 ºC

SMILES

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CCOC(=O)CC1=NC=CC=N1

InChI

InChI=1S/C8H10N2O2/c1-2-12-8(11)6-7-9-4-3-5-10-7/h3-5H,2,6H2,1H3

InChIKey

DZQZAEMLHNEMEN-UHFFFAOYSA-N

LogP

0.5822

Topological Polar Surface Area

52.080000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

144

Synonyms & References

English

Ethyl 2-(2-Pyrimidyl)acetate
ETHYL PYRIMIDINE-2-ACETATE
MFCD09953517
AM20100560
PB14776
(ethoxycarbonylmethyl)pyrimidine
ethyl (2-pyrimidinyl)acetate
FT-0648659
2-Pyrimidineacetic acid ethyl ester;2-Pyrimidineacetic acid, ethyl ester (9CI)
ethyl 2-pyrimidin-2-ylacetate
SY007015
Ethyl (pyrimidin-2-yl)acetate
2-Pyrimidineacetic acid, ethyl ester (9CI)
PYRIMIDIN-2-YL-ACETIC ACID ETHYL ESTER
63155-11-3
DTXSID60494582
DS-10518
DZQZAEMLHNEMEN-UHFFFAOYSA-N
J-510317
ethyl 2-(pyrimidin-2-yl)acetate
2-Pyrimidineacetic acid, ethyl ester
AKOS006311316
A25936
ethyl2-(pyrimidin-2-yl)acetate
SCHEMBL7890254
2-PYRIMIDINEACETIC ACID ETHYL ESTER
CS-W003699
AC-25241
Ethyl 2-(pyrimidin-2-yl)acetate
2-Pyrimidineacetic acid ethyl ester
2-Pyrimidineaceticacid, ethyl ester

MDL Number

MFCD09953517

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3)?

Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3) is a crystalline compound with a molecular weight of approximately 170.21 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is mildly reactive and should be handled with care, particularly in the presence of moisture or other strong oxidizers. It decomposes when exposed to heat or strong acids.

How is Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3) typically synthesized?

Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3) is typically synthesized via the condensation of 2-pyrimidinylacetic acid with ethyl bromide in the presence of a base such as potassium carbonate. The reaction is carried out in an aprotic solvent like dimethylformamide (DMF) under mild heating. The yield is usually around 70-80%, and the product can be purified by recrystallization from organic solvents.

What industries use Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3)?

Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3) is used in the pharmaceutical industry for the synthesis of certain drugs and as an intermediate in the production of organic compounds. It is also used in the polymer industry for the modification of polymer properties and in the semiconductor industry for the fabrication of thin films. Additionally, it has applications in the development of sensors and analytical chemistry.

What precautions should be taken when handling Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3)?

When handling Ethyl 2-pyrimidinylacetate (CAS: 63155-11-3), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to avoid inhalation of vapors. Spills should be cleaned up carefully using appropriate absorbents, and the area should be thoroughly ventilated. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed handling and disposal information.