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187844

1-Bromo-3,5-dimethyladamantane

Name: 1-Bromo-3,5-dimethyladamantane
Brand: ALDRICH

98%

Synonym(s):

1-Bromo-3,5-dimethyltricyclo[3.3.1.1^3,7]decane

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About This Item

Empirical Formula (Hill Notation):

C₁₂H₁₉Br

CAS Number:

941-37-7

Molecular Weight:

243.18

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24851288

EC Number:

213-378-9

Beilstein/REAXYS Number:

1927514

MDL number:

MFCD00077197

Assay:

98%

Form:

liquid

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Properties

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

Description

Application

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

Storage Class

10 - Combustible liquids

wgk

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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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)

Global Trade Item Number

SKU	GTIN
187844-25G	04061837071294
187844-5G	04061838758644