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Home > Encyclopedia > 6-BroMo-4-chloropyrido[2,...

6-BroMo-4-chloropyrido[2,...

6-BroMo-4-chloropyrido[2,... structure

6-BroMo-4-chloropyrido[2,... 

structure
  • CAS No:

    1215787-31-7

  • Formula:

    C7H3BrClN3

  • Chemical Name:

    6-BroMo-4-chloropyrido[2,...

  • Synonyms:

    6-Bromo-4-chloropyrido[2,3-d]pyrimidine;6-Bromo-4-chloro-pyrido[2,3-d]pyrimidine;Pyrido[2,3-d]pyrimidine, 6-bromo-4-chloro-;SCHEMBL10161486;CTK4B2539;DTXSID90680739;KS-000003GQ;ANW-50741;ZINC36243903;AKOS015835951

6-BroMo-4-chloropyrido[2,... Basic Attributes

244.47582

242.919876

DTXSID90680739

2933990090

Characteristics

38.7

2.5

1.861±0.06 g/cm3(Predicted)

152-154 °C

334.0±37.0 °C(Predicted)

155.8±26.5 °C

1.703

6-BroMo-4-chloropyrido[2,... Use and Manufacturing

6-Bromopyrido[2, 3-d]pyrimidin-4(3H)-one (3.Og) and POC13 (15 mL)were heated at 130 °C under nitrogen for 3h. The homogeneous dark solution was concentrated under reduced pressure and diluted with EtOAc (150 mL). The heterogeneous brown slurry was poured onto mixture of ice/aq. NaHCO3 and allowed the mixture warm to room temperature. The heterogeneous brown mixture was further diluted with EtOAc (75 mL) and separated the organic layer. The organic layer was partitioned with aq. NaC1, separated, stirred with MgSO4 and filtered through a pad of Celite® and silica gel. The pale yellow filtrate was concentrated and the crude solid was stirred in 50percent EA/hexanes. 6-Bromo-4-chloropyrido[2, 3-d]pyrimidine was obtained as a pale yellow crystalline solid (1.8 g, purity: 95percent) upon filtration.To the suspension of 6-bromopyrido[2, 3-d]pyrimidin-4-ol (3) (15.0 g, 0.066 mol) in thionyl chloride 150 mL was added a few drops of DMF, then the mixture was stirred at reflux for 6 h. Adding 24.2 g (0.1 mol) of 4-bromo-6-chloropyrido[2, 3-d]pyrimidine, 8.8 g (0.lmol) of butanediamine and 400 ml of 1, 4-dioxane Into a 1 L round bottom flask, heated to 60 C, the reaction was monitored by TLC until the reaction was completed, and the solvent was evaporated.Column chromatography to obtain compound 10-120.6 g of a white solid (yield 82.3%).Add 24.2 g (0.1 mol) of Adding 24.2 g (0.1 mol) of

Computed Properties

Molecular Weight:244.47
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:242.91989
Monoisotopic Mass:242.91989
Topological Polar Surface Area:38.7
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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