6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone

Basic Information

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CAS Number

56287-74-2

Molecular Formula

C16H14FN3O

Molecular Weight

283.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

195-196 ºC

Boiling Point

492.541 °C at 760 mmHg

Density

1.2529 (estimate)

Flash Point

251.68 °C

Refractive Index

1.642

SMILES

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CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF

InChI

InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3

InChIKey

VDOSWXIDETXFET-UHFFFAOYSA-N

LogP

2.74582

Topological Polar Surface Area

60.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

439

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Toxicity

LD50 in mice (mg/kg): 315.1 i.p. (Tani)

Synonyms & References

English

MFCD00867693
AS-11726
AKOS015842375
6-Amino-3,4-dihydro-2-fluoromethyl-3-(2-methylphenyl)-4-chinazolinon
CS-5009
6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-quinazolinone
BRN 0819769
AFLOQUALONE [MART.]
Afloqualonum
D01638
SMR004701231
D95096
NCGC00167443-02
afloqualone
6-amino-2-(fluoromethyl)-3-(o-tolyl)quinazolin-4(3H)-one
FT-0653844
CO4U2C8ORZ
UNII-CO4U2C8ORZ
Afloqualona [INN-Spanish]
6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-chinazolinon
SCHEMBL400184
HQ 495
HQ-495
BCP13264
6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-Quinazolinone
CHEMBL2105918
CCG-267278
Afloqualon
NS00097760
6-amino-2-(fluoromethyl)-3-o-tolylquinazolin-4(3H)-one
2-fluoromethyl-3-(o-tolyl)-6-amino-4(3H)-quinazolinone

MDL Number

MFCD00867693

FAQ

What are the physical and chemical properties of 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2)?

6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2) has a crystalline form and a molecular weight of approximately 311.15 g/mol. It has low solubility in water but is soluble in common organic solvents like DMSO and DMF. This compound shows moderate reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2) typically synthesized?

6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2) is typically synthesized via a condensation reaction of 2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone with an amino-containing compound. Commonly, the reaction is catalyzed by a mild base such as triethylamine. The yield is typically around 70-80%, and the reaction is carried out under mild conditions to ensure high selectivity.

What industries use 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2)?

6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2) finds applications in the pharmaceutical industry, particularly in the development of anti-inflammatory and anticancer drugs. It is also used in the polymer industry for the synthesis of advanced materials. Additionally, it has potential uses in the sensor and semiconductor industries due to its electronic properties.

What precautions should be taken when handling 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2)?

When handling 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone (CAS: 56287-74-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. Store the compound in a fume hood to minimize exposure to air and potential volatiles. Spills should be immediately cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.