7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one

• CAS: 321436-06-0
• Catalog Number: ACM321436060
• Category: Other Products
• Molecular Weight: 228.04
• Molecular Formula: C8H6BrNO2
• Synonyms: 7-Bromo-2H-benzo[b][1,4]oxazin-3(4H)-one;7-Bromo-3,4-dihydro-2H-1,4-benzoxazin-3-one
• IUPAC Name: 7-bromo-4H-1,4-benzoxazin-3-one
• Canonical SMILES: C1C(=O)NC2=C(O1)C=C(C=C2)Br
• InChI Key: ZAXUQDMKVBOVCR-UHFFFAOYSA-N
• Boiling Point: 381.471ºC at 760 mmHg
• Flash Point: 184.507ºC
• Density: 1.677g/cm³
• Exact Mass: 226.95800
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 38191-34-3
• 79-04-9

• 321436-06-0

Reference: [1] Journal of Medicinal Chemistry, 2015, vol. 58, # 1, p. 222 - 236

Upstream Synthesis Route 2

• 1001004-08-5

• 321436-06-0

Reference: [1] Patent: US2011/112067, 2011, A1, . Location in patent: Page/Page column 33

Upstream Synthesis Route 3

• 5466-88-6

• 321436-06-0

Reference: [1] Organic Letters, 2017, vol. 19, # 14, p. 3799 - 3802
[2] Journal of Chemical Research, Miniprint, 2003, # 11, p. 1120 - 1128
[3] European Journal of Organic Chemistry, 2018, vol. 2018, # 43, p. 5972 - 5979

Upstream Synthesis Route 4

• 26215-14-5

• 321436-06-0

Reference: [1]Patent: WO2008/44022,2008,A1 .Location in patent: Page/Page column 28