Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate

• CAS: 142166-00-5
• Catalog Number: ACM142166005
• Category: Other Products
• Molecular Weight: 207.19
• Molecular Formula: C₁₀H₉NO₄
• Synonyms: 142166-00-5, methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate, Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate, methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate, ST092952, PubChem20118, ACMC-1BZU5, SureCN303909, CTK4C2975, MolPort-006-170-346, ANW-20678, SBB050291, STK895066, ZINC22995846, AKOS005072612, AG-D-83605, MB04718, MCULE-1790890224, RP12061, AK-59370
• IUPAC Name: methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)NC(=O)CO2
• InChI Key: HBGXBRNLTSFTIG-UHFFFAOYSA-N
• Boiling Point: 411.647ºC at 760 mmHg
• Melting Point: 256-258ºC
• Flash Point: 202.757ºC
• Density: 1.314g/cm³
• Exact Mass: 207.05300
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 142165-99-9

• 142166-00-5

Reference: [1]Einhorn; Oppenheimer
[Justus Liebigs Annalen der Chemie, 1900, vol. 311, p. 168]
[2]Einhorn; Oppenheimer
[Justus Liebigs Annalen der Chemie, 1900, vol. 311, p. 168]

Upstream Synthesis Route 2

• 142165-99-9

• 142166-00-5
• 13065-48-0

Reference: [1]Einhorn; Oppenheimer
[Justus Liebigs Annalen der Chemie, 1900, vol. 311, p. 168]

Downstream Synthesis Route 1

• 142166-00-5

• 142166-01-6

Reference: [1] Patent: WO2018/30550, 2018, A1, . Location in patent: Paragraph 0658

Downstream Synthesis Route 2

• 142166-00-5

• 851202-96-5

Reference: [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 24, p. 8219 - 8248

* For details of the synthesis route, please refer to the original source to ensure accuracy.