ChemicalBook--->CAS DataBase List--->3158-85-8

3158-85-8

3158-85-8 Structure

3158-85-8 Structure
IdentificationBack Directory
[Name]

10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE
[CAS]

3158-85-8
[Synonyms]

Amoxapine Impurity 8
Amoxapine Impurity 10
5H-benzo[b][1,5]benzoxazepin-6-one
5h-benzo[b][1,4]benzoxazepin-6-one
dibenz[b,f][1,4]oxazepin-11(10H)-one
10H-DIBENZO[B,F][1,4]OXAZEPIN-11-ONE
Dibenzo[b,f][1,4]oxazepin-11(10H)-one
10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE
10,11-Dihydrodibenzo[b,f][1,4]oxazepine-11-one
10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one 97%
[EINECS(EC#)]

221-601-6
[Molecular Formula]

C13H9NO2
[MDL Number]

MFCD00005074
[MOL File]

3158-85-8.mol
[Molecular Weight]

211.22
Chemical PropertiesBack Directory
[Melting point ]

211-213 °C(lit.)
[Boiling point ]

277.4±10.0 °C(Predicted)
[density ]

1.261±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.73±0.20(Predicted)
[color ]

Light Beige
[InChI]

1S/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
[InChIKey]

OXMPDOZBQGHTGH-UHFFFAOYSA-N
[SMILES]

O=C1Nc2ccccc2Oc3ccccc13
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Dibenzo[b,f][1,4]oxazepin-11(10H)-one is a Loxapine (L472750) impurity, a D2/D4-Dopamine receptor antagonist. A serotonergic receptor antagonist. A dibenzoxazepine antipsychotic agent.
[Synthesis Reference(s)]

Tetrahedron Letters, 37, p. 1667, 1996 DOI: 10.1016/0040-4039(96)00086-X
Spectrum DetailBack Directory
[Spectrum Detail]

10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE(3158-85-8)MS
10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE(3158-85-8)1HNMR
10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE(3158-85-8)IR1
10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE(3158-85-8)IR2
10,11-DIHYDRODIBENZ[B,F][1,4]OXAZEPIN-11-ONE(3158-85-8)Raman
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