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Home > Encyclopedia > 7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine structure

7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine 

structure
  • CAS No:

    105679-22-9

  • Formula:

    C8H8BrNO

  • Chemical Name:

    7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

  • Synonyms:

    7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine;7-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine;7-Bromo-3,4-dihydro-2H-1,4-benzoxazine;2H-1,4-Benzoxazine, 7-broMo-3,4-dihydro-

7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine Basic Attributes

214.07

212.978912

DTXSID60592476

2934999090

Characteristics

21.3

2.3

1.534

300.4±42.0 °C(Predicted)

135.5±27.9 °C

1.580

Safety Information

22

Xn

7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine Use and Manufacturing

A solution of 7-bromo-3, 4-dihydro-2H-l, 4-benzoxazine (600 mg, 2.80 mmol), di- tert-butyl dicarbonate (1.82 g, 8.33 mmol), and 4-dimethylaminopyridine (203 mg, 1.66 mmol) in pyridine (5 mL) was stirred for 16 h at 90 C. The resulting mixture was concentrated under vacuum. The residue was purified via column chromatography on silica gel (eluting with 1 : 10 ethyl acetate/petroleum ether) to afford tert-butyl 7-bromo-3, 4-dihydro-2H-l, 4-benzoxazine-4- carboxylate (440 mg, 50%) as a yellow solid.7-Bromo-4-(pyridin-2-yl)-3, 4-dihydro-2H-benzo[b] [1, 4]oxazine (1)

Computed Properties

Molecular Weight:214.06
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:212.97893
Monoisotopic Mass:212.97893
Topological Polar Surface Area:21.3
Heavy Atom Count:11
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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