1,3-DIMETHYLADAMANTANE

PRODUCT IDENTIFICATION

CAS NO. 702-79-4

1,3-DIMETHYLADAMANTANE

EINECS NO. 211-870-8
FORMULA C12H20
MOL WT. 164.29

H.S. CODE

2902.19.0050

TOXICITY

 

SYNONYMS 1,3-Dimethyltricyclo[3.3.1.1(3,7)]decane;
1.3-二甲基金刚烷 (Chinese); 1,3-Dimethyltricyclo[3.3.1.1(3,7)]decan (German); 1,3-dimetiltriciclo[3.3.1.1(3,7)]decano (Spanish); 1,3-dimetiltriciclo[3.3.1.1(3,7)] decano (French);
SMILES C12(CC3(CC(C1)CC(C2)C3)C)C

CLASSIFICATION

Adamantane

EXTRA NOTES

 

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear liquid
MELTING POINT - 30 C
BOILING POINT

201 C

SPECIFIC GRAVITY 0.886
SOLUBILITY IN WATER insoluble
pH  
VAPOR DENSITY

 

AUTOIGNITION

 

NFPA RATINGS

Health: 1; Flammability: 2; Reactivity: 0

REFRACTIVE INDEX

1.478
FLASH POINT

51 C

STABILITY

Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Google Scholar Search

PubChem Compound Summary - 1,3-Dimethyladamantane

KEGG (Kyoto Encyclopedia of Genes and Genomes) -  1,3-Dimethyladamantane

http://www.ebi.ac.uk/chebi/ - 1,3-Dimethyladamantane

http://pubs.acs.org/
New Synthetic Approach to Memantine Hydrochloride starting from 1,3-Dimethyl-adamantane

Local:
Adamantane consists of four cyclohexanes fused each other in chair conformations. It is the most stable isomer of formula, C10H16; one of  the highest melting point hydrocarbons (> 210 C); boiling point cannot be determined directly as it sublimes easily. Its stability is from strain free and highly symmetrical structure (all C-C bonds are set in and all Cs are tetrahedral). Its systematical name is tricyclo[3.3.1.1(3,7)]decane which means bicyclo[3.3.1]decane with an extra one-carbon bridge between C3 and C7. An alkyl substituent is axial in one ring and equatorial in another. Polymantanes have the same structure as the diamond lattice featuring highly symmetrical and strain free and are named as diamondoids . The general molecular formula of homologous diamondoid is C4n+6H4n+12. Diamondoids have one or more cages and are called diamantane, triamantane, and polymantanes. There are numerous structural isomers as well. Aadamantane itself is the simplest diamondoid. Some examples are; iceane (C12H18), diadamantane (C14H20), triadamantane (C18H24), isotetramantane (C22H28), cyclohexamantane (C26H30), superadamantane (C35H36). Natural diamondoids are extracted and purified from petroleum deposits. Diamondoids are being investigated in the new field of nanotechnoloy. Clinically, amantane and its derivatives are employed chiefly for the synthesis of antiviral drugs as well as neurological drugs such as rimantadine and Parkinson’s disease drugs. Their unique structures have the possibility to be applied to produce a broad range of biologically and pharmaceutically active drugs such as anticancer and anti-microbial agents. An application of 1,3-Dimethyladamantane can be found in the synthesis of the drug called memantine used in protecting the brain nerve cells.

SALES SPECIFICATION

APPEARANCE

clear liquid

ASSAY

99.0% min

WATER

0.5% max

DENSITY

0.865 - 0.905

TRANSPORTATION
PACKING
 
HAZARD CLASS 3 (Packing Group: III)
UN NO. 1993
SAFETY INFORMATION

Hazard Overview

Combustible Liquid

GHS

 

SIGNAL WORD Warning

PICTOGRAMS

HAZARD STATEMENTS

H226  Flammable liquid and vapour

EC DIRECTIVES

 

HAZARD CODES

 

RISK PHRASES

10  Flammable

SAFETY PHRASES

16  Keep away from sources of ignition - No smoking

PRICE INFORMATION