Skip to Content
Merck
All Photos(1)

Documents

187836

Sigma-Aldrich

1,3-Dimethyladamantane

≥99%

Synonym(s):

1,3-Dimethyltricyclo[3.3.1.13,7]decane

Sign Into View Organizational & Contract Pricing


About This Item

Empirical Formula (Hill Notation):
C12H20
CAS Number:
Molecular Weight:
164.29
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥99%

form

liquid

refractive index

n20/D 1.478 (lit.)

density

0.886 g/mL at 25 °C (lit.)

SMILES string

C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C)(C3)C2

InChI

1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-,12+

InChI key

CWNOIUTVJRWADX-BKUVIOGVSA-N

Looking for similar products? Visit Product Comparison Guide

General description

1,3-Dimethyladamantane undergoes C-H insertion reaction with phenylchlorocarbene. It reacts with with molecular oxygen in the presence of N-hydroxyphthalimide combined with cobalt salts to yield 3,5-dimethyladamantan-1-ol and 5,7-dimethyladamantane-1,3-diol.

Application

1,3-Dimethyladamantane was used in the synthesis of 1,3-dibromo-5,7-dimethyladamantane.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

127.4 °F - closed cup

Flash Point(C)

53 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

R A Moss et al.
Organic letters, 1(5), 819-822 (2005-08-25)
[structure: see text] Phenylchlorocarbene inserts into the tertiary CH bonds of 1,3-dimethyladamantane and 1-X-adamantanes (X = H, OMe, COOMe, Cl, CN). There is a good correlation between the relative rate constants for these insertions and the inductive substituent constants, sigma1(X)
Hydroxylation of polycyclic alkanes with molecular oxygen catalyzed by N-hydroxyphthalimide (NHPI) combined with transition metal salts.
Ishii Y, et al.
Tetrahedron Letters, 37(28), 4993-4996 (1996)
The synthesis of 3-amino-3-methylbicyclo [3.3. 1] nonanes: Endo-selectivity in the Ritter reaction of 1, 3, 5, 7a-tetramethylbicyclo [3.3. 1] nonan-3-ol.
Mishnev AF.
Journal of the Chemical Society. Perkin Transactions 1, 23, 3527-3530 (1999)
Nien-Hsin Kao et al.
Environmental science and pollution research international, 22(10), 7529-7546 (2015-02-26)
The sources of the spill and the contaminated soils of an aged oil spill contaminated site with unknown mixed pollutants were investigated by using a set of developed forensic chemical procedures which include analysis of oil products, site investigation, gas

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service