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Home > Encyclopedia > 6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine

6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine

6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine structure

6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine 

structure
  • CAS No:

    944709-42-6

  • Formula:

    C5H2Br2N4

  • Chemical Name:

    6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine

  • Synonyms:

    6,8-Dibromo-[1,2,4]triazolo[1,5-a]pyrazine;6,8-dibromo[1,2,4]triazolo[1,5-a]pyrazine;PubChem20844;[1,2,4]Triazolo[1,5-a]pyrazine, 6,8-dibromo-;SCHEMBL17199445;CTK5H6666;KS-00000HUV;DTXSID50659986;CS-B1065;ANW-50775

6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine Basic Attributes

277.907

275.864594

DTXSID50659986

2933990090

Characteristics

43.1

1.7

2.6±0.1 g/cm3

1.885

Safety Information

IRRITANT

6,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine Use and Manufacturing

A solution of (2-fluorobenzyl)zinc(II) chloride (18.0 ml, 0.5 M in THF, 9.00 mmol) was added to a mixture of PdCl2(PPh3)2 (0.253 g, 0.360 mmol) and commercially available intermediate Int-7a (2.00 g, 7.20 mmol). The reaction was purged with nitrogen, sealed and heated to 50 C for 1 h. The reaction mixture was cooled to room temperature and directly purified by silica gel chromatography utilizing a gradient of 0-70% ethyl acetate in hexanes to afford intermediate Int-7b (1.49 g, 61%). 1H NMR: (500 MHz, DMSO-d6), d (ppm): 9.46 (s, 1H), 8.74 (s, 1H), 7.39 - 7.42 (m, 1H), 7.30 - 7.34 (m, 1H), 7.14 - 7.21 (m, 2 H), 4.56 (s, 2H). MS ES+ m/z = 307.1 [M]+, 309.0 [M+2]+,

Computed Properties

Molecular Weight:277.90
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Exact Mass:277.86257
Monoisotopic Mass:275.86462
Topological Polar Surface Area:43.1
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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