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Home > Encyclopedia > 4-BROMO-2,6-DIMETHOXY-PYRIMIDINE

4-BROMO-2,6-DIMETHOXY-PYRIMIDINE

4-BROMO-2,6-DIMETHOXY-PYRIMIDINE structure

4-BROMO-2,6-DIMETHOXY-PYRIMIDINE 

structure
  • CAS No:

    60186-89-2

  • Formula:

    C6H7BrN2O2

  • Chemical Name:

    4-BROMO-2,6-DIMETHOXY-PYRIMIDINE

  • Synonyms:

    4-Bromo-2,6-dimethoxypyrimidine;4-bromo-2,6-dimethoxy-pyrimidine;Pyrimidine, 4-bromo-2,6-dimethoxy-;6-Bromo-2,4-dimethoxypyrimidine;PubChem21470;SCHEMBL8595031;CTK5B1105;DTXSID20461255;ANW-59810;ZINC21299702

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

4-BROMO-2,6-DIMETHOXY-PYRIMIDINE Basic Attributes

219.03598

217.969086

DTXSID20461255

2933599090

Characteristics

44.2

1.8

1.6±0.1 g/cm3

294.7°C at 760 mmHg

132.0±28.2 °C

1.533

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-BROMO-2,6-DIMETHOXY-PYRIMIDINE Use and Manufacturing

Into a 2-L 3-necked round-bottom flask, was placed 2, 4, 6-tribromopyrimidine (54 g, 170.47 mmol, 1 equiv), methanol (500 mL), diethyl ether (500 mL), and MeONa/MeOH (30percent) (76.7 g, 2.50 equiv) was added dropwise. The resulting solution was stirred for 2 h at RT. The resulting mixture was concentrated under vacuum. The resulting solution was diluted with 1 L of EA. The resulting mixture was washed with 3x500 mL of brine. The resulting mixture was concentrated under vacuum. The residue was applied onto a silica gel column with ethyl acetate/petroleum ether (1 : 100-1 : 10). The collected fractions were combined and concentrated under vacuum. This resulted in 23 g (62percent) of the title compound as a white solid. Analytical Data: LC-MS: (ES, m/z): RT = 1.287 min, LCMS 28: m/z = 219 [M+l].

Computed Properties

Molecular Weight:219.04
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:217.96909
Monoisotopic Mass:217.96909
Topological Polar Surface Area:44.2
Heavy Atom Count:11
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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