Benzoxazinones

Alfa Aesar™ 2H-1,4-Benzoxazin-3(4H)-one, 99%

CAS: 5466-88-6 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00158536 InChI Key: QRCGFTXRXYMJOS-UHFFFAOYSA-N Synonym: 2h,4h-benzo e 1,4-oxazaperhydroin-3-one PubChem CID: 72757 IUPAC Name: 4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=CC=CC=C2O1

Alfa Aesar™ 6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-propionitrile, 98%

CAS: 351003-20-8 Molecular Formula: C11H9ClN2O2 Molecular Weight (g/mol): 236.655 MDL Number: MFCD01834020 InChI Key: WLSJNBIUCRGWQJ-UHFFFAOYSA-N Synonym: 3-6-chloro-2,3-dihydro-3-oxobenzo b 1,4 oxazin-4-yl propanenitrile PubChem CID: 3327922 IUPAC Name: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanenitrile SMILES: C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC#N

Alfa Aesar™ 2-Methyl-2H-1,4-benzoxazin-3(4H)-one, 97%

CAS: 21744-83-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD04141926 InChI Key: PILVMCZSXIINLV-UHFFFAOYSA-N Synonym: 2-methyl-1,4 benzoxazin-3 4h-one PubChem CID: 301730 IUPAC Name: 2-methyl-4H-1,4-benzoxazin-3-one SMILES: CC1C(=O)NC2=CC=CC=C2O1

Alfa Aesar™ 2,2-Dimethyl-2H-1,4-benzoxazin-3(4H)-one, 97%

CAS: 10514-70-2 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD11868710 InChI Key: LJRUKUQEIHJTEL-UHFFFAOYSA-N Synonym: 2,2-dimethyl-1,4-benzoxazin-3-one PubChem CID: 10607395 IUPAC Name: 2,2-dimethyl-4H-1,4-benzoxazin-3-one SMILES: CC1(C(=O)NC2=CC=CC=C2O1)C

Alfa Aesar™ 6-Acetyl-2H-1,4-benzoxazin-3(4H)-one, 98%

CAS: 26518-71-8 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD01321313 InChI Key: BKJFWHFUERNXLJ-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 6-acetyl PubChem CID: 3641956 IUPAC Name: 6-acetyl-4H-1,4-benzoxazin-3-one SMILES: CC(=O)C1=CC2=C(C=C1)OCC(=O)N2

Alfa Aesar™ 6-Bromo-2H-1,4-benzoxazin-3(4H)-one, 95%

CAS: 24036-52-0 Molecular Formula: C8H6BrNO2 Molecular Weight (g/mol): 228.045 MDL Number: MFCD00461173 InChI Key: UQCFMEFQBSYDHY-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 6-bromo PubChem CID: 16218142 IUPAC Name: 6-bromo-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)Br

3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride, 97%, Maybridge

CAS: 31794-45-3 Molecular Formula: C8H6ClNO4S Molecular Weight (g/mol): 247.649 MDL Number: MFCD05664887 InChI Key: CGTCULUUVYBAPX-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazine-6-sulfonyl chloride, 3,4-dihydro-3-oxo PubChem CID: 5200229 IUPAC Name: 3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)Cl

4-[(3-Oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoic acid, Alfa Aesar™

CAS: 857492-98-9 Molecular Formula: C16H13NO4 Molecular Weight (g/mol): 283.283 MDL Number: MFCD00269588 InChI Key: YVNJRPNQFNUCKP-UHFFFAOYSA-N Synonym: 4-2,3-dihydro-3-oxo-4h-1,4-benzoxazin-4-yl methyl benzoic acid PubChem CID: 1659722 IUPAC Name: 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoic acid SMILES: C1C(=O)N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C(=O)O

Alfa Aesar™ 7-Fluoro-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97%

CAS: 103361-67-7 Molecular Formula: C8H5FN2O4 Molecular Weight (g/mol): 212.136 MDL Number: MFCD22056242 InChI Key: MNUBUFBVOBPANC-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 7-fluoro-6-nitro PubChem CID: 13731297 IUPAC Name: 7-fluoro-6-nitro-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=CC(=C(C=C2O1)F)[N+](=O)[O-]

Alfa Aesar™ 3-Oxo-2,3-dihydro-4H-1,4-benzoxazine-4-acetic acid, 98%

CAS: 26494-55-3 Molecular Formula: C10H9NO4 Molecular Weight (g/mol): 207.185 MDL Number: MFCD00269587 InChI Key: POGLODLVBYOXAO-UHFFFAOYSA-N Synonym: 2,3-dihydro-3-oxo-4h-1,4-benzoxazine-4-acetic acid PubChem CID: 2735705 IUPAC Name: 2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid SMILES: C1C(=O)N(C2=CC=CC=C2O1)CC(=O)O

Alfa Aesar™ 2,2-Dimethyl-7-nitro-2H-1,4-benzoxazin-3(4H)-one, 97%

CAS: 85160-83-4 Molecular Formula: C10H10N2O4 Molecular Weight (g/mol): 222.2 MDL Number: MFCD11048438 InChI Key: KGWYDVZSGRHPFK-UHFFFAOYSA-N Synonym: 2,2-dimethyl-7-nitro-2h-1,4-benzooxazine-3 4h-one PubChem CID: 12793543 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

Alfa Aesar™ 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-boronic acid pinacol ester

CAS: 943994-02-3 Molecular Formula: C14H18BNO4 Molecular Weight (g/mol): 275.111 MDL Number: MFCD12755796 InChI Key: ZXOSNHPLTJAXSA-UHFFFAOYSA-N Synonym: 3-oxo-2h,4h-benzo b 1,4 oxazine-6-boronic acid pinacol ester PubChem CID: 46856474 IUPAC Name: 6-(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)OCC(=O)N3

Alfa Aesar™ 6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-propionitrile, 97%

CAS: 351003-19-5 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD03427105 InChI Key: SZEGFLHUNYLAOJ-UHFFFAOYSA-N Synonym: 3-2,3-dihydro-6-methyl-3-oxobenzo b 1,4 oxazin-4-yl propanenitrile PubChem CID: 4524694 IUPAC Name: 3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanenitrile SMILES: CC1=CC2=C(C=C1)OCC(=O)N2CCC#N

Alfa Aesar™ 2,2-Dimethyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97%

CAS: 85160-84-5 Molecular Formula: C10H10N2O4 Molecular Weight (g/mol): 222.2 MDL Number: MFCD03427729 InChI Key: YKXZRZGZJZYBBH-UHFFFAOYSA-N Synonym: 2,2-dimethyl-6-nitro-2,3-dihydro-4h-1,4-benzooxazine-3-one PubChem CID: 10656631 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

Alfa Aesar™ Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate, 97%

CAS: 202195-67-3 Molecular Formula: C10H9NO4 Molecular Weight (g/mol): 207.185 MDL Number: MFCD03036646 InChI Key: WPGYGHFVLMZWHI-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester PubChem CID: 2974054 IUPAC Name: methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)OCC(=O)N2

5-Amino-2H-1,4-benzoxazin-3(4H)-one, 97%, Acros Organics™

CAS: 148890-63-5 Molecular Formula: C₈H₈N₂O₂ Molecular Weight (g/mol): 164.17 InChI Key: GXGYWLOHPYNWFE-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 5-amino PubChem CID: 10797099 IUPAC Name: 5-amino-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=C(C=CC=C2O1)N

Alfa Aesar™ 4-Methyl-2H-1,4-benzoxazin-3(4H)-one, 98%

CAS: 21744-84-3 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00601365 InChI Key: DBJMEBUKQVZWMD-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 4-methyl PubChem CID: 89032 IUPAC Name: 4-methyl-1,4-benzoxazin-3-one SMILES: CN1C(=O)COC2=CC=CC=C21

Alfa Aesar™ 7-Amino-2H-1,4-benzoxazin-3(4H)-one, 97%

CAS: 26215-14-5 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 MDL Number: MFCD03425794 InChI Key: RUZXDTHZHJTTRO-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one,7-amino PubChem CID: 2764182 IUPAC Name: 7-amino-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=C(O1)C=C(C=C2)N

Alfa Aesar™ 6-Bromo-7-fluoro-2,4-dihydro-1,4-benzoxazin-3-one, 96%

CAS: 355423-58-4 Molecular Formula: C8H5BrFNO2 Molecular Weight (g/mol): 246.035 MDL Number: MFCD20441932 InChI Key: AVHJMSMGASUDIT-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 6-bromo-7-fluoro PubChem CID: 23574320 IUPAC Name: 6-bromo-7-fluoro-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=CC(=C(C=C2O1)F)Br

Alfa Aesar™ 6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-propionic acid, 97%

CAS: 351003-03-7 Molecular Formula: C11H10ClNO4 Molecular Weight (g/mol): 255.654 MDL Number: MFCD03424566 InChI Key: REQQIWCFXWGLDY-UHFFFAOYSA-N Synonym: 3-6-chloro-2h-1,4-benzoxazin-3 4h-one-4-yl propionic acid PubChem CID: 2757392 IUPAC Name: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid SMILES: C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC(=O)O

6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one 98.0+%, TCI America™

CAS: 5791-00-4 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.618 MDL Number: MFCD01744501 InChI Key: MGOCBXKZDZRPMK-UHFFFAOYSA-N PubChem CID: 22035 IUPAC Name: 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one SMILES: CC1C(=O)NC2=C(O1)C=CC(=C2)Cl

6-Bromo-2H-1,4-benzoxazin-3(4H)-one 94.0+%, TCI America™

2H-1,4-Benzoxazin-3(4H)-one 98.0+%, TCI America™

6-(Chloroacetyl)-2H-1,4-benzoxazin-3(4H)-one 98.0+%, TCI America™

CAS: 26518-76-3 Molecular Formula: C10H8ClNO3 Molecular Weight (g/mol): 225.628 MDL Number: MFCD01321312 InChI Key: MIAHXWVABDHISZ-UHFFFAOYSA-N PubChem CID: 2764458 IUPAC Name: 6-(2-chloroacetyl)-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCl

6-Nitro-2H-1,4-benzoxazin-3(4H)-one 98.0+%, TCI America™

CAS: 81721-87-1 Molecular Formula: C8H6N2O4 Molecular Weight (g/mol): 194.146 MDL Number: MFCD03425744 InChI Key: UNYXDJBNODSRRC-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazin-3 4h-one, 6-nitro PubChem CID: 2763683 IUPAC Name: 6-nitro-4H-1,4-benzoxazin-3-one SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

6-Acetyl-2H-1,4-benzoxazin-3(4H)-one 98.0+%, TCI America™

Y-25130 hydrochloride, Tocris Bioscience™

CAS: 123040-16-4 Molecular Formula: C17H21Cl2N3O3 Molecular Weight (g/mol): 386.273 InChI Key: DBMKBKPJYAHLQP-UHFFFAOYSA-N Synonym: 2h-1,4-benzoxazine-8-carboxamide, 3,4-dihydro-n-1-azabicyclo 2.2.2 oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride PubChem CID: 115000 IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride SMILES: CN1C(=O)COC2=C1C=C(C=C2C(=O)NC3CN4CCC3CC4)Cl.Cl

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