N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine

Basic Information

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CAS Number

912556-91-3

Molecular Formula

C18H16Cl2FN3O2

Molecular Weight

396.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCCl

InChI

InChI=1S/C18H16Cl2FN3O2/c1-25-16-9-15-12(8-17(16)26-6-2-5-19)18(23-10-22-15)24-11-3-4-14(21)13(20)7-11/h3-4,7-10H,2,5-6H2,1H3,(H,22,23,24)

InChIKey

LYHIGZLXZKJTPS-UHFFFAOYSA-N

LogP

5.182200000000003

Topological Polar Surface Area

56.27000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

437

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

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

Synonyms & References

English

N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
4-QUINAZOLINAMINE, N-(3-CHLORO-4-FLUOROPHENYL)-6-(3-CHLOROPROPOXY)-7-METHOXY-
6-(3-chloropropoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
N-(3-chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxy-4-Quinazolinamine
Gefitinib InterMediate B
AK126834
C18H16Cl2FN3O2
LYHIGZLXZKJTPS-UHFFFAOYSA-N
AMX10170
ST2419654
AX8248625
Z5329
N-(3-chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-
4-[(3-Chloro-4-fluorophenyl)amino]-6-(3-chloropropoxy)-7-methoxyquinazoline
4-Quinazolinamin
N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxy-4-quinazolinamine (ACI)
N-(3-chloro-4-fluoro-phenyl)-6-(3-chloropropoxy)-7-methoxy-quinazolin-4-amine
N-(3-chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine
MFCD26383919
912556-91-3
CS-0150556
SCHEMBL14964773
DTXSID10678855
AKOS004910597
6-?(3-?Chloropropoxy) Gefitinib
DS-5313

MDL Number

MFCD26383919

FAQ

What are the physical and chemical properties of N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine (CAS: 912556-91-3)?

This compound is a crystalline solid with a molecular weight of approximately 415.18 g/mol. It is slightly soluble in water and organic solvents. The compound is known for its reactivity towards nucleophiles and electrophiles, showing some basic properties due to the amine functional group.

How is N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine (CAS: 912556-91-3) typically synthesized?

This compound can be synthesized via a multistep process involving the protection of a phenolic hydroxyl group, followed by introduction of a chloroalkoxy group, and subsequent quinazolinone formation. The key reagents include chloroalkyl halides and amines, with a yield of around 70-80%. Detailed synthesis protocols can be found in relevant chemical journals.

What industries use N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine (CAS: 912556-91-3)?

This compound is primarily used in the pharmaceutical industry due to its potential anti-inflammatory and anti-cancer properties. It may also find applications in the development of advanced materials and sensors, although its specific uses in these fields are limited.

What precautions should be taken when handling N-(3-Chloro-4-fluorophenyl)-6-(3-chloropropoxy)-7-methoxyquinazolin-4-amine (CAS: 912556-91-3)?

When handling this compound, it is recommended to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should always be consulted for specific handling instructions.