6-Hydroxy-7-methoxy-4(3H)-quinazolinone

Basic Information

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CAS Number

179688-52-9

Molecular Formula

C9H8N2O3

Molecular Weight

192.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

503.3°C at 760 mmHg

Flash Point

258.2℃

SMILES

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COC1=C(C=C2C(=C1)N=CNC2=O)O

InChI

InChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4,12H,1H3,(H,10,11,13)

InChIKey

OKZIRNNFVQCDSA-UHFFFAOYSA-N

LogP

0.6372999999999998

Topological Polar Surface Area

75.21 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

267

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BCP12919
179688-52-9
EN300-341900
GS-3248
6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one
AKOS015888611
CS-B0939
H1606
6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one;
A18335
6-Hydroxy-7-methoxy-4(3H)-Quinazolinone
3,4-dihydro-4-oxo-6-hydroxy-7-methoxy-quinazoline
6-hydroxy-7-methoxyquinazoline-4(3H)-one
6-hydroxy-7-methoxy-1H-quinazolin-4-one
6-hydroxy-7-(methyloxy)-4(1H)-quinazolinone
SCHEMBL216888
6-Hydroxy-7-methoxyquinazolin-4(1H)-one
FT-0651486
J-518790
4-[4-(4-Propylcyclohexyl)phenyl]cyclohexanone
AKOS024258511
AC-8517
4(1H)-Quinazolinone, 6-hydroxy-7-methoxy-
4(3H)-Quinazolinone, 6-hydroxy-7-methoxy-; 4(1H)-Quinazolinone, 6-hydroxy-7-methoxy- (9CI); 6-Hydroxy-7-methoxy-4(3H)-quinazolinone; 6-Hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one; 6-Hydroxy-7-methoxyquinazolin-4(3H)-one; 7-Methoxyquinazoline-4,6-diol
OKZIRNNFVQCDSA-UHFFFAOYSA-N
AM20090624
DTXSID20585329
MFCD07787563
PB34249
6-hydroxy-7-methoxy-quinazolin-4(1h)-one
6-hydroxy-7-methoxyquinazolin-4(3H)-one

MDL Number

MFCD07787563

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9)?

6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9) is a crystalline solid with a molecular weight of approximately 246.22 g/mol. It has a solubility of about 0.1 g/L in water and is poorly soluble in organic solvents. This compound is moderately reactive, particularly towards nucleophiles and reducing agents. It can be isolated as a white to pale yellow crystalline solid.

How is 6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9) typically synthesized?

6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9) can be synthesized through the condensation of 4-chloroquinazoline with methanol in the presence of hydroxylamine followed by hydrolysis. The reaction is typically carried out in anhydrous conditions to improve yield and selectivity. The use of a suitable catalyst can enhance the reaction rate and product purity.

What industries use 6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9)?

6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9) finds applications in pharmaceuticals, particularly in the development of anti-inflammatory and antifungal drugs. It is also used in the synthesis of certain polymers and as a precursor in sensor technology and semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9)?

When handling 6-Hydroxy-7-methoxy-4(3H)-quinazolinone (CAS: 179688-52-9), it is essential to wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Work should be performed in a well-ventilated area or under a fume hood to avoid inhalation of dust. In case of skin contact, immediately wash with soap and water. If swallowed, seek medical attention immediately. Always consult the Safety Data Sheet (SDS) for detailed handling and storage instructions to ensure safety in the laboratory setting.