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187062

3-Bromobenzyl bromide

Name: 3-Bromobenzyl bromide
Brand: ALDRICH

99%

Synonym(s):

α,3-Dibromotoluene

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About This Item

Linear Formula:

BrC₆H₄CH₂Br

CAS Number:

823-78-9

Molecular Weight:

249.93

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24851249

EC Number:

212-519-1

Beilstein/REAXYS Number:

2078683

MDL number:

MFCD00000176

Assay:

99%

Form:

solid

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Properties

assay

99%

form

solid

mp

39-41 °C (lit.)

functional group

bromo

SMILES string

BrCc1cccc(Br)c1

InChI

1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChI key

ZPCJPJQUVRIILS-UHFFFAOYSA-N

Description

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

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

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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Certificates of Analysis (COA)

Lot/Batch Number

0000521365

0000471516

0000359393

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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)

Discovery of a substituted 8-arylquinoline series of PDE4 inhibitors: structure-activity relationship, optimization, and identification of a highly potent, well tolerated, PDE4 inhibitor.

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

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Global Trade Item Number

SKU	GTIN
187062-5G	04061838758392
187062-25G	04061838758385