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7752-78-5

7752-78-5 Structure

7752-78-5 Structure
IdentificationBack Directory
[Name]

5-BROMO-2-METHYL-PYRIMIDINE
[CAS]

7752-78-5
[Synonyms]

5-BROMO-2-METHYL-PYRIMIDINE
5-Bromo-2-methyl-1,3-diazine
5-bromo-2-methyl-pyrimidi...
PyriMidine, 5-broMo-2-Methyl-
2-methyl-5-bromo-1,3-pyrimidine
5-BROMO-2-METHYL-PYRIMIDINE ISO 9001:2015 REACH
[EINECS(EC#)]

691-361-9
[Molecular Formula]

C5H5BrN2
[MDL Number]

MFCD07375143
[MOL File]

7752-78-5.mol
[Molecular Weight]

173.011
Chemical PropertiesBack Directory
[Melting point ]

80.0 to 85.0 °C
[Boiling point ]

195.2±13.0 °C(Predicted)
[density ]

1.596±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerated.
[solubility ]

soluble in Methanol
[form ]

Solid
[pka]

0.46±0.22(Predicted)
[color ]

Light yellow to Brown
[λmax]

266nm(EtOH)(lit.)
[InChI]

InChI=1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3
[InChIKey]

NEDJTEXNSTUKHW-UHFFFAOYSA-N
[SMILES]

C1(C)=NC=C(Br)C=N1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Warning
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

5-BROMO-2-METHYL-PYRIMIDINE is a disubstituted pyrimidine derivative with strong insecticidal effects on house flies.
[Synthesis]

5-Bromo-2-methyl-4-pyrimidinecarboxylic acid

100707-39-9

5-BROMO-2-METHYL-PYRIMIDINE

7752-78-5

General procedure for the synthesis of 5-bromo-2-methylpyrimidine from 2-methyl-5-bromopyrimidine-4-carboxylic acid: 5-bromo-2-methylpyrimidine-4-carboxylic acid (350 mg, 1.6 mmol) was dissolved in xylene (5 mL), and the reaction was carried out at reflux for 2 hours. After the reaction was completed, the reaction mixture was cooled to room temperature and directly sampled onto a silica gel column. Gradient elution with petroleum ether and petroleum ether solution containing 5% (v/v) ethyl acetate was carried out sequentially, and the target fraction was collected to give 5-bromo-2-methylpyrimidine (170 mg, 61% yield) as a white solid.LC-MS (m/z): 173 [M + H]+. 1H NMR (400 MHz, DMSO-d6) δ: 2.59 (s, 3H), 8.87 ( s, 2H).

[References]

[1] Patent: WO2011/130628, 2011, A1. Location in patent: Page/Page column 176
[2] Patent: US2013/102595, 2013, A1. Location in patent: Paragraph 0366
[3] Patent: JP2015/187145, 2015, A. Location in patent: Paragraph 0320
[4] Patent: WO2014/131855, 2014, A1. Location in patent: Page/Page column 56
[5] Collection of Czechoslovak Chemical Communications, 1949, vol. 14, p. 223,228
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-2-METHYL-PYRIMIDINE(7752-78-5)1HNMR
5-BROMO-2-METHYL-PYRIMIDINE(7752-78-5)FT-IR
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