N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine

Basic Information

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CAS Number

379231-04-6

Molecular Formula

C27H32ClN5O5

Molecular Weight

542.04 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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

671.25°C at 760 mmHg

SMILES

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CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)Cl

InChI

InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)

InChIKey

OUKYUETWWIPKQR-UHFFFAOYSA-N

LogP

3.9395000000000024

Topological Polar Surface Area

90.44000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

743

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

Synonyms & References

English

4-(6-Chloro-2,3-methylenedioxyanilino)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-tetrahydropyran-4-yloxyquinazoline
AZD0350
AS-16692
BCP0726000126
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
HMS3884A03
NSC735464
9KD24QGH76
BRD-K19540840-001-05-2
MLS006011166
SW218134-2
saracatinibum
AZD-0530
BCP01733
GTPL7731
N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
OUKYUETWWIPKQR-UHFFFAOYSA-N
FT-0657225
BCPP000364
SMR004702935
N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-4-amine
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-[(oxan-4-yl)oxy]quinazolin-4-amine
379231-04-6
D09664
AZD0530
4-(6-chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline
2h8h
CHEMBL217092
HMS3265E22
NSC-800878

MDL Number

MFCD09832698

FAQ

What are the physical and chemical properties of N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine (CAS: 379231-04-6)?

This compound is a crystalline solid with a molecular weight of approximately 649.5 g/mol. It has good solubility in organic solvents such as methanol and dimethylformamide. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is also known to be stable under normal laboratory conditions.

How is N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine (CAS: 379231-04-6) typically synthesized?

The compound is synthesized using a multi-step process involving the coupling of 5-chloro-1,3-benzodioxol-4-amine with a piperazine derivative, followed by the introduction of a tetrahydro-2H-pyran group and a quinazoline ring. Common catalysts include triphenylphosphine and palladium. The final product is typically obtained with high yield and selectivity.

What industries use N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine (CAS: 379231-04-6)?

This compound is primarily used in the pharmaceutical industry for developing new drugs due to its chemical structure. It may also find applications in the semiconductor and sensor industries, although its use in these fields is less common and more specialized.

What precautions should be taken when handling N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine (CAS: 379231-04-6)?

When handling this compound, it is important to wear 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 risks. Spills should be handled carefully, and the material safety data sheet (MSDS) should be consulted for specific spill cleanup procedures. Avoid contact with eyes and skin, and ensure proper disposal of waste products.