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Home > Encyclopedia > 5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine

5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine

5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine structure

5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine 

structure
  • CAS No:

    19752-61-5

  • Formula:

    C12H19BrN2O2

  • Chemical Name:

    5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine

  • Synonyms:

    Pyrimidine,5-bromo-2,4-bis(1,1-dimethylethoxy)-;Pyrimidine,5-bromo-2,4-di-tert-butoxy-;5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine;5-Bromo-2,4-bis(tert-butoxy)pyrimidine;5-Bromo-2,4-di-tert-butoxypyrimidine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine Basic Attributes

303.2

303.20

DTXSID20355988

2933599090

Characteristics

44.2

3.5

1.267±0.06 g/cm3(Predicted)

61 °C

352.0±45.0 °C(Predicted)

166.7±28.7 °C

1.507

8.05E-05mmHg at 25°C

5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine Use and Manufacturing

iii 5-Bromo-2, 4-bis[1, 1-dimethylethoxy]pyrimidine To a solution of potassium tert-butoxide (67.5 g) in tetrahydrofuran (500 ml) was added dropwise a solution of 5-bromo-2, 4-dichloropyrimidine (55 g) (J.Am.Chem.Soc. 1934, 56, 134) in tetrahydrofuran (100 ml). After 1.5 hours, water (100 ml) was added carefully and the mixture extracted with ethyl acetate. The combined extract was washed with water, dried (MgSO4) and evaporated under reduced pressure. Purification was by chromatography eluding with 5% triethylamine in isohexane. Yield 52.4 g. MS: GC-MS: 302/304 (M+).i 5-Bromo-2, 4-bis(1, 1-dimethylethoxy)pyrimidine To a solution of potassium tert-butoxide (67.5 g) in tetrahydrofuran (500 ml) was added 5-bromo-2, 4-dichloropyrimidine (55 g) (J. Am. Chem. Soc. 1934, 56, 134) in tetrahydrofuran (100 ml) dropwise. After 1.5 hours, water (100 ml) was added carefully and the mixture extracted with ethyl acetate. The combined organic solution was washed with water, dried (MgSO4) and evaporated under reduced pressure. Purification was by chromatography eluding with 5% triethylamine in isohexane to give the product as a solid. Yield 52.4 g MS: GC-MS: 304/302 (M+)i 5-Bromo-2, 4-bis(1, 1-dimethylethoxy)pyrimidine To a solution of potassium tert-butoxide (67.5 g) in tetrahydrofuran (500 ml) was added dropwise a solution of 5-bromo-2, 4-dichloropyrimidine (55 g) (J.Am.Chem.Soc. 1934, 56, 134) in tetrahydrofuran (100 ml). After 1.5 hours, water (100 ml) was added carefully and the mixture extracted with ethyl acetate. The combined extract was washed with water, dried (MgSO4) and evaporated under reduced pressure. Purification was by chromtography eluding with isohexane. Yield 52.4 g. MS: GC-MS: 302/304 (M+)vi 5-Bromo-2, 4-bis(1, 1-dimethylethoxy)pyrimidine To a solution of potassium tert-butoxide (67.5 g) in tetrahydrofuran (500 ml) was added 5-bromo-2, 4-dichloropyrimidine (55 g) (J. Am. Chem. Soc., 1934, 56, 134) in tetrahydrofuran (100 ml) dropwise. After 1.5 hours water (100 ml) was added carefully and the mixture extracted with ethyl acetate. The combined organic solution was washed with water, dried (MgSO4) and evaporated under reduced pressure. Purification was by chromatography eluding with isohexane containing 1% triethylamine. Yield 52.4 g. MS: GC-MS: 304/302 (M+)

Computed Properties

Molecular Weight:303.20
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:302.06299
Monoisotopic Mass:302.06299
Topological Polar Surface Area:44.2
Heavy Atom Count:17
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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