7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate

Basic Information

View in Editor

CAS Number

179688-53-0

Molecular Formula

C11H10N2O4

Molecular Weight

234.21 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

390°C at 760 mmHg

Flash Point

227.398℃

Refractive Index

1.612

SMILES

View in Editor

CC(=O)OC1=C(C=C2C(=C1)C(=O)NC=N2)OC

InChI

InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)

InChIKey

SOLQIFINSOHAQD-UHFFFAOYSA-N

LogP

0.8569999999999998

Topological Polar Surface Area

81.28000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

355

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

6-O-Acetyl-4-hydroxy-7-methoxy quinazoline
6-Acetoxy-7-methoxy-quinazolin-4-one
AKOS016001385
CS-0064069
SY018370
SCHEMBL8960
AS-19916
(7-methoxy-4-oxo-1H-quinazolin-6-yl) acetate;7-Methoxy-4-oxo-3,4-dihydroquinazolin-6-yl acetate
4-Hydroxy-7-methoxyquinazolin-6-yl Ester Acetic Acid
6-acetoxy-7-methoxy-quinazolin4-one
AKOS015888612
G10001
6-Acetoxy-7-methoxy-4-hydroxyquinazoline
3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
4(1H)-Quinazolinone, 6-(acetyloxy)-7-methoxy-
4-HYDROXY-7-METHOXYQUINAZOLIN-6-YL ACETATE
6-(Acetyloxy)-7-methoxyquinazolin-4(3H)-one
(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate
A812478
6-Acetoxy-7-methoxy-4(1H)-quinazolinone
3,4-dihydro-4-oxo-6-acetyloxy-7-methoxy-quinazoline
PB41362
6-Acetoxy-7-methoxy-4-quinazolinol
7-Methoxy-4-oxo-3,4-dihydroquinazolin-6-yl acetate
DTXSID50621628
6-Acetoxy-7-methoxy-4(3H)-quinazolinone
gefitinib impurity vii
9LAH5FU9X5
7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate
4-Hydroxy-7-methoxy-6-quinazolinyl acetate
AC-8516

MDL Number

MFCD09833010

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0)?

7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0) is a crystalline compound with a molecular weight of approximately 266.24 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. The compound is known for its reactivity in esterification and acylation reactions. It has a melting point of around 135-137°C and is stable under normal conditions but requires careful handling due to its potential to undergo hydrolysis.

How is 7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0) typically synthesized?

7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate is typically synthesized by the acetylation of 7-methoxy-4-oxo-1,4-dihydro-6-quinazoline with acetic anhydride in the presence of a catalytic amount of p-toluenesulfonic acid. The reaction is carried out under reflux conditions leading to high yield and selectivity. The product is usually purified by recrystallization from a suitable solvent.

What industries use 7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0)?

7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0) finds application in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It is also used in the polymer industry as a stabilizer and in the development of sensors and semiconductors for electronic applications.

What precautions should be taken when handling 7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0)?

When handling 7-Methoxy-4-oxo-1,4-dihydro-6-quinazolinyl acetate (CAS: 179688-53-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. Ensure the use of a fume hood during preparation and handling to minimize exposure to the vapor. Spills should be cleaned up immediately using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.