Benzoxazinones

Description:

Organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.

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  1. 8-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
    CAS: 102065-94-1 PubChem CID: 14174152 Formula: C9H9NO2 Molecular Weight: 163.17
    Solid ≥98%
    Out of Stock Item #: M770362
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    Technical Identifiers
    IUPAC Name
    8-methyl-4H-1,4-benzoxazin-3-one
    SMILES
    CC1=C2C(=CC=C1)NC(=O)CO2
    InChIKey
    SXJYJSYBBLSIPL-UHFFFAOYSA-N
    InChI
    1S/C9H9NO2/c1-6-3-2-4-7-9(6)12-5-8(11)10-7/h2-4H,5H2,1H3,(H,10,11)
  2. 6-Bromo-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
    CAS: 221311-16-6 PubChem CID: 22622903 Formula: C9H8BrNO2 Molecular Weight: 242.08
    Solid ≥97%
    In Stock Item #: B730822
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    Technical Identifiers
    IUPAC Name
    6-bromo-2-methyl-4H-1,4-benzoxazin-3-one
    SMILES
    CC1C(=O)NC2=C(O1)C=CC(=C2)Br
    InChIKey
    NUXLDNTZFXDNBA-UHFFFAOYSA-N
    InChI
    1S/C9H8BrNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)
    Synonyms
    6-bromo-2-methyl-1,4-benzoxazin-3-(4H)-one
  3. 5-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one
    CAS: 148890-63-5 PubChem CID: 10797099 Formula: C8H8N2O2 Molecular Weight: 164.17
    Solid ≥95%
    Out of Stock Item #: A725057
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    Technical Identifiers
    IUPAC Name
    5-amino-4H-1,4-benzoxazin-3-one
    SMILES
    C1C(=O)NC2=C(C=CC=C2O1)N
    InChIKey
    GXGYWLOHPYNWFE-UHFFFAOYSA-N
    InChI
    1S/C8H8N2O2/c9-5-2-1-3-6-8(5)10-7(11)4-12-6/h1-3H,4,9H2,(H,10,11)
    Synonyms
    5-Amino-2H-1,4-benzoxazin-3(4H)-one
  4. 2,2-Dimethyl-7-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
    CAS: 85160-83-4 PubChem CID: 12793543 Formula: C10H10N2O4 Molecular Weight: 222.2
    Out of Stock Item #: D727106
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    Technical Identifiers
    IUPAC Name
    2,2-dimethyl-7-nitro-4H-1,4-benzoxazin-3-one
    SMILES
    CC1(C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-])C
    InChIKey
    KGWYDVZSGRHPFK-UHFFFAOYSA-N
    InChI
    1S/C10H10N2O4/c1-10(2)9(13)11-7-4-3-6(12(14)15)5-8(7)16-10/h3-5H,1-2H3,(H,11,13)
  5. 2,2-Dimethyl-6-nitro-2H-benzo[b][1,4]oxazin-3(4h)-one
    CAS: 85160-84-5 EC Number: 809-705-5 PubChem CID: 10656631
    Out of Stock Item #: D724941
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    Technical Identifiers
    IUPAC Name
    2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one
    SMILES
    CC1(C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-])C
    InChIKey
    YKXZRZGZJZYBBH-UHFFFAOYSA-N
    InChI
    1S/C10H10N2O4/c1-10(2)9(13)11-7-5-6(12(14)15)3-4-8(7)16-10/h3-5H,1-2H3,(H,11,13)
  6. 2,2-Dimethyl-4H-1,4-benzoxazin-3-one
    CAS: 10514-70-2 PubChem CID: 10607395 Formula: 10H11NO2
    Out of Stock Item #: D724885
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    Technical Identifiers
    IUPAC Name
    2,2-dimethyl-4H-1,4-benzoxazin-3-one
    SMILES
    CC1(C(=O)NC2=CC=CC=C2O1)C
    InChIKey
    LJRUKUQEIHJTEL-UHFFFAOYSA-N
    InChI
    1S/C10H11NO2/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
  7. Methyl6-bromo-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylate
    CAS: 141761-85-5 PubChem CID: 15665685 Formula: C10H8BrNO4 Molecular Weight: 286.09
    Out of Stock Item #: M728527
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    Technical Identifiers
    IUPAC Name
    methyl 6-bromo-3-oxo-4H-1,4-benzoxazine-8-carboxylate
    SMILES
    COC(=O)C1=C2C(=CC(=C1)Br)NC(=O)CO2
    InChIKey
    FJLFERASKAOESO-UHFFFAOYSA-N
    InChI
    1S/C10H8BrNO4/c1-15-10(14)6-2-5(11)3-7-9(6)16-4-8(13)12-7/h2-3H,4H2,1H3,(H,12,13)
  8. Methyl 2-(3-oxo-3,4-dihydro-2H-1,4- benzoxazin-6-yl)acetate
    CAS: 866038-49-5 PubChem CID: 3785484 Formula: C11H11NO4 Molecular Weight: 221.21
    Out of Stock Item #: M708891
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    Technical Identifiers
    IUPAC Name
    methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetate
    SMILES
    COC(=O)CC1=CC2=C(C=C1)OCC(=O)N2
    InChIKey
    BSLHZQGTOQQCMK-UHFFFAOYSA-N
    InChI
    1S/C11H11NO4/c1-15-11(14)5-7-2-3-9-8(4-7)12-10(13)6-16-9/h2-4H,5-6H2,1H3,(H,12,13)
  9. 8-Acetyl-6-benzyloxy-4H-benzo[1,4]oxazin-3-one
    CAS: 869478-09-1 PubChem CID: 21100136 Formula: C17H15NO4 Molecular Weight: 297.31
    Out of Stock Item #: A729952
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    Technical Identifiers
    IUPAC Name
    8-acetyl-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
    SMILES
    CC(=O)C1=C2C(=CC(=C1)OCC3=CC=CC=C3)NC(=O)CO2
    InChIKey
    URTYAHMRXXVHKS-UHFFFAOYSA-N
    InChI
    1S/C17H15NO4/c1-11(19)14-7-13(21-9-12-5-3-2-4-6-12)8-15-17(14)22-10-16(20)18-15/h2-8H,9-10H2,1H3,(H,18,20)
  10. 8-Acetyl-5-(benzyloxy)-2H-benzo[b][1,4]oxazin-3(4H)-one
    CAS: 1035229-32-3 PubChem CID: 57988970 Formula: C17H15NO4 Molecular Weight: 297.31
    Out of Stock Item #: A734276
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    Technical Identifiers
    IUPAC Name
    8-acetyl-5-phenylmethoxy-4H-1,4-benzoxazin-3-one
    SMILES
    CC(=O)C1=C2C(=C(C=C1)OCC3=CC=CC=C3)NC(=O)CO2
    InChIKey
    DKSBVRUAVDKXSO-UHFFFAOYSA-N
    InChI
    1S/C17H15NO4/c1-11(19)13-7-8-14(16-17(13)22-10-15(20)18-16)21-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20)
  11. 8-(2-Aminoethyl)-5-Hydroxy-2H-Benzo[B][1,4]Oxazin-3(4H)-One Hydrochloride
    CAS: 1035229-35-6 PubChem CID: 66963355
    Out of Stock Item #: H734627
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    Technical Identifiers
    IUPAC Name
    8-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one;hydrochloride
    SMILES
    C1C(=O)NC2=C(C=CC(=C2O1)CCN)O.Cl
    InChIKey
    YFMULFZNMRCEHG-UHFFFAOYSA-N
    InChI
    1S/C10H12N2O3.ClH/c11-4-3-6-1-2-7(13)9-10(6)15-5-8(14)12-9;/h1-2,13H,3-5,11H2,(H,12,14);1H
  12. 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
    CAS: 1219130-57-0 PubChem CID: 46856482 Formula: C14H18BNO4 Molecular Weight: 275.11
    Out of Stock Item #: H732871
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    Technical Identifiers
    IUPAC Name
    7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
    SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)CO3
    InChIKey
    SUGHRPQPOYIUBL-UHFFFAOYSA-N
    InChI
    1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-8-12(17)16-10/h5-7H,8H2,1-4H3,(H,16,17)
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