4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride | CAS No. 184475-70-5

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride

Basic Information

CAS Number

184475-70-5

Molecular Formula

C17H14Cl2FN3O3

Molecular Weight

398.2 g/mol

AD

Basic Physical Properties

CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC.Cl

InChI

InChI=1S/C17H13ClFN3O3.ClH/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10;/h3-8H,1-2H3,(H,20,21,22);1H

InChIKey

RBFWFFFXYPQXHG-UHFFFAOYSA-N

LogP

4.521600000000001

Topological Polar Surface Area

73.34 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

472

Synonyms & References

English

  • FT-0651490
  • RBFWFFFXYPQXHG-UHFFFAOYSA-N
  • CL3494
  • AKOS015888616
  • Methyl (S)-N-(tert-butoxycarbonyl)pyroglutamate
  • 4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate hydrochloride (1:1)
  • 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazo-lin-6-yl acetate hydrochloride
  • AC-8514
  • DTXSID20625991
  • 184475-70-5
  • 4-(3-Chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl acetate--hydrogen chloride (1/1)
  • SCHEMBL641764
  • 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-ylacetatehydrochloride
  • J-513373
  • 4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate hydrochloride
  • A812871
  • 6-Acetoxy-4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline hydrochloride
  • 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride
  • [4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;hydrochloride
  • 4-(3-chloro-4-fluorophenylaMino)-7-Methoxyquinazol
  • 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate HCl
  • 6-acetoxy-4-(3'-chloro-4'-fluoroanilino)-7-Methoxyquinazolinehydrochloridesalt
  • 4-(3-chloro-4-fluorophenylaMino)-6-Acetoxy -7-Methoxyquinazoline Hydrochloride

MDL Number

MFCD12761612

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride (CAS: 184475-70-5)?

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride is a crystalline solid with a molecular weight of approximately 433.68 g/mol. It has a solubility of about 100 mg/mL in water and moderate solubility in organic solvents. It is highly reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but should be stored at room temperature away from direct sunlight.

How is 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride (CAS: 184475-70-5) typically synthesized?

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride is typically synthesized via a multi-step process involving the condensation of 7-methoxyquinazoline-6-carbaldehyde with 3-chloro-4-fluoroaniline, followed by acetylation and hydrochloride formation. The synthesis involves the use of catalysts such as piperidine and requires careful control of reaction conditions to achieve high yield and selectivity.

What industries use 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride (CAS: 184475-70-5)?

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride is primarily used in the pharmaceutical industry for its potential in developing new therapeutic agents. It may also find applications in sensor technology, where its chemical reactivity and stability make it suitable for detecting specific analytes. Additionally, it could have potential uses in the semiconductor industry for its electronic properties.

What precautions should be taken when handling 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride (CAS: 184475-70-5)?

When handling 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride, it is crucial to wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up using appropriate spill control measures, and the area should be thoroughly rinsed. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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