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187844

Sigma-Aldrich

1-Bromo-3,5-dimethyladamantane

98%

Synonym(s):

1-Bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane

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About This Item

Empirical Formula (Hill Notation):
C12H19Br
CAS Number:
941-37-7
Molecular Weight:
243.18
Beilstein/REAXYS Number:
1927514
EC Number:
213-378-9
MDL number:
MFCD00077197
UNSPSC Code:
12352100
PubChem Substance ID:
24851288
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.52 (lit.)

bp

201 °C (lit.)

density

1.224 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

C[C@]12CC3C[C@](C)(C1)CC(Br)(C3)C2

InChI

1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3/t9-,10+,11-,12-

InChI key

QUCXLVDIVQWYJR-CDECOKDKSA-N

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Application

1-Bromo-3,5-dimethyladamantane was used in the one pot synthesis of 1,3-dicarbonyl adamantanes[1]. It was also used in the synthesis of 3,5-dimethyladamantan-1-ol[2].

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109.00 °C - closed cup

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF1299V
WXBD4507V
WXBD3005V
WXBD2263V
STBH6624

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Synthesis of 3, 5-dimethyladamantan-1-ol by reaction of 1, 3-dimethyladamantane with bromotrichloromethane and water in the presence of manganese complexes.
Khusnutdinov RI, et al.
Russ. J. Org. Chem., 50(1), 25-28 (2014)
The first one-pot synthesis of 1, 3-dicarbonyl adamantanes from 1-bromoadamantanes.
Akhrem IS, et al.
Mendeleev Communications, 21(5), 259-261 (2011)

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