ChemicalBook--->CAS DataBase List--->314771-88-5

314771-88-5

314771-88-5 Structure

314771-88-5 Structure
IdentificationBack Directory
[Name]

4-QuinazolinaMine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-
[CAS]

314771-88-5
[Synonyms]

Afatinib intermediate C
7-((S)-tetrahydrofuran-3-yloxy)-4-(3-chloro-4-fluorophenyl)a...
N-(3-Chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]
N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-
N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-
N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
7-((S)-tetrahydrofuran-3-yloxy)-4-(3-chloro-4-fluorophenyl)aMino-6-nitroquinazoline
(S)-N-(3-chloro-4-fluorophenyl)-6-nitro-7-(tetrahydrofuran-3-yloxy)quinazolin-4-aMine
7-((S)-tetrahydrofuran-3-yloxy) -N-(3-chloro-4-fluorophenyl) -6-nitroquinazolin-4-amine
N-(3-Chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4-quinazolinaMine
4-QuinazolinaMine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-
[EINECS(EC#)]

925-395-5
[Molecular Formula]

C18H14ClFN4O4
[MDL Number]

MFCD18642924
[MOL File]

314771-88-5.mol
[Molecular Weight]

404.78
Chemical PropertiesBack Directory
[Boiling point ]

585.0±50.0 °C(Predicted)
[density ]

1.534±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

5.07±0.70(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C18H14ClFN4O4/c19-13-5-10(1-2-14(13)20)23-18-12-6-16(24(25)26)17(7-15(12)21-9-22-18)28-11-3-4-27-8-11/h1-2,5-7,9,11H,3-4,8H2,(H,21,22,23)/t11-/m0/s1
[InChIKey]

UXAZURVGMXJLSO-NSHDSACASA-N
[SMILES]

N1=C2C(C=C([N+]([O-])=O)C(O[C@H]3CCOC3)=C2)=C(NC2=CC=C(F)C(Cl)=C2)N=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

(S)-N-(3-chloro-4-fluorophenyl)-6-nitro-7-(tetrahydrofuran-3-yloxy)quinazolin-4-amine is a used in the synthetic preparation of 4-anilinoquinazolines with C-6 urea-linked side chains as inhibitors of epidermal growth factor receptor. It is also used in the preparation of (2Z)-Afatinib (A355305) which is used for treating cancer and diseases of the respiratory tract, lungs, gastrointestinal tract, bile duct, and gallbladder.
Spectrum DetailBack Directory
[Spectrum Detail]

4-QuinazolinaMine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-(314771-88-5)1HNMR
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