187062
3-Bromobenzyl bromide
99%
Synonym(s):
α,3-Dibromotoluene
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About This Item
Linear Formula:
BrC6H4CH2Br
CAS Number:
Molecular Weight:
249.93
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-519-1
Beilstein/REAXYS Number:
2078683
MDL number:
Assay:
99%
Form:
solid
InChI key
ZPCJPJQUVRIILS-UHFFFAOYSA-N
InChI
1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
SMILES string
BrCc1cccc(Br)c1
assay
99%
form
solid
Quality Level
functional group
bromo
Related Categories
General description
3-Bromobenzyl bromide undergoes reduction with diethylzinc in the presence of Pd(PPh3)4 to yield corresponding hydrocarbon.
Application
3-Bromobenzyl bromide was used in the synthesis of:
- 1,7-di(3-bromobenzyl)cyclen
- substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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Synthesis of a new family of bi-and polycyclic compounds via Pd-catalyzed amination of 1, 7-di (3-bromobenzyl) cyclen.
Averin AD, et al.
Tetrahedron Letters, 49(24), 3950-3954 (2008)
Reduction of benzylic halides with diethylzinc using tetrakis (triphenylphosphine) palladium as catalyst.
Agrios KA and Srebnik M.
The Journal of Organic Chemistry, 58(24), 6908-6910 (1993)
Dwight Macdonald et al.
Bioorganic & medicinal chemistry letters, 15(23), 5241-5246 (2005-09-20)
The discovery and SAR of a new series of substituted 8-arylquinoline PDE4 inhibitors are herein described. This work has led to the identification of several compounds with excellent in vitro and in vivo profiles, including a good therapeutic window of
William L Scott et al.
Journal of combinatorial chemistry, 11(1), 14-33 (2008-12-25)
Distributed Drug Discovery (D(3)) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computational stages of D(3) is the global rehearsal of prospective reagents and
William L Scott et al.
Journal of combinatorial chemistry, 11(1), 34-43 (2008-12-25)
For the successful implementation of Distributed Drug Discovery (D(3)) (outlined in the accompanying Perspective), students, in the course of their educational laboratories, must be able to reproducibly make new, high quality, molecules with potential for biological activity. This article reports
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