Ethyl 3-methyl-4-pyridazinecarboxylate

Basic Information

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CAS Number

98832-80-5

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

296.4±20.0℃ at 760 mmHg

SMILES

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CCOC(=O)C1=C(N=NC=C1)C

InChI

InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-5-9-10-6(7)2/h4-5H,3H2,1-2H3

InChIKey

TVAAFELLTHKOFM-UHFFFAOYSA-N

LogP

0.9617199999999999

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

161

Synonyms & References

English

P11140
NS-01333
CS-W020487
FT-0716427
SY028631
PB32968
AKOS006324385
SCHEMBL3598344
ETHYL 3-METHYLPYRIDAZINE-4-CARBOXYLATE
DTXSID00540653
MFCD11506291
98832-80-5
3-methyl-pyridazine-4-carboxylic acid ethyl ester
YDA83280
ETHYL 3-METHYL-PYRIDAZINE-4-CARBOXYLATE
TVAAFELLTHKOFM-UHFFFAOYSA-N
InChI=1/C8H10N2O2/c1-3-12-8(11)7-4-5-9-10-6(7)2/h4-5H,3H2,1-2H
4-Pyridazinecarboxylic acid, 3-methyl-, ethyl ester
Ethyl 3-methylpyridazine-4-carboxylate
Ethyl 3-methyl-pyridazine-4-carboxylate
ethyl 3-methylpyridazine-4-carboxylate

MDL Number

MFCD11506291

FAQ

What are the physical and chemical properties of Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5)?

Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5) is a crystalline solid with a molecular weight of approximately 196.22 g/mol. It has a characteristic odor and is poorly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is relatively stable in air but reacts with strong bases and acids. It has a melting point around 85-87°C and a boiling point of about 245-247°C at 10 mmHg.

How is Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5) typically synthesized?

Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5) is typically synthesized via the reaction of 4-pyridazinecarboxylic acid with ethyl iodide in the presence of a base such as potassium carbonate. The reaction is carried out in an organic solvent like dimethylformamide (DMF). The yield is generally around 85-90%, and the product can be isolated by recrystallization from hot ethanol.

What industries use Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5)?

Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of certain antipsychotic drugs. It also finds applications in the production of polymer-based materials, electronic sensors, and as a precursor for semiconductors in the electronics industry.

What precautions should be taken when handling Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5)?

When handling Ethyl 3-methyl-4-pyridazinecarboxylate (CAS: 98832-80-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled carefully, using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage. This compound is not highly toxic but should be managed with care due to its potential for skin irritation and other health effects.