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Home > Encyclopedia > 11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one structure

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one 

structure
  • CAS No:

    1012884-46-6

  • Formula:

    C17H12ClNO2

  • Chemical Name:

    11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

  • Synonyms:

    1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one,11-chloro-2,3-dihydro-2-methyl-;11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

  • Categories:

    Pharmaceutical Intermediates  >  Antidepressants

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one Basic Attributes

297.73568

297.74

DTXSID20438689

2934999090

Characteristics

29.5

4.33

1.43

530.8±50.0 °C(Predicted)

274.8±30.1 °C

1.704

Safety Information

P264, P270, P301+P312, P330, P501

H302

Not Classified

11-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one Use and Manufacturing

Anhydrous aluminium chloride (5 g) was added to a reaction mixture containing 3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2, 4-dione (1 g) in monochlorobenzene (1 mL) at ambient temperature. The reaction mixture was stirred at about 98°C for about 1 hour, then cooled to ambient temperature. A mixture of water and concentrated hydrochloric acid (50 mL:5 mL) was added slowly. The contents were stirred for about 30 minutes. Hexane (50 mL) was added. The contents were stirred for about 1 hour, filtered, washed with hexane (15 mL) and dried in air at about 30°C for about 15 hours to obtain 11-chloro-2-methyl-2, 3-dihydro-1H-dibenzo[2, 3:6, 7]oxepino[4, 5-c]pyrrol-1-one. Yield: 97percentAnhydrous aluminium chloride (5 g) was added to a reaction mixture containing 3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2, 4-dione (1 g) in monochlorobenzene (1 mL) at ambient temperature. The reaction mixture was stirred at about 98° C. for about 1 hour, then cooled to ambient temperature. A mixture of water and concentrated hydrochloric acid (50 mL:5 mL) was added slowly. The contents were stirred for about 30 minutes. Hexane (50 mL) was added. The contents were stirred for about 1 hour, filtered, washed with hexane (15 mL) and dried in air at about 30° C. for about 15 hours to obtain 11-chloro-2-methyl-2, 3-dihydro-1H-dibenzo [2, 3:6, 7] oxepino [4, 5-c]pyrrol-1-one. Yield: 97percent

Computed Properties

Molecular Weight:297.7
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Exact Mass:297.0556563
Monoisotopic Mass:297.0556563
Topological Polar Surface Area:29.5
Heavy Atom Count:21
Complexity:489
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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