1,3-Dimethyladamantane
Synonym(s):1,3-Dimethyladamantane;1,3-Dimethyltricyclo[3.3.1.13,7]decane
- CAS NO.：702-79-4
- Empirical Formula: C12H20
- Molecular Weight: 164.29
- MDL number: MFCD00074755
- EINECS: 211-870-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is 1,3-Dimethyladamantane?
Chemical properties
clear colourless liquid
The Uses of 1,3-Dimethyladamantane
1,3-Dimethyladamantane is a dimethylated adamantane derivative. Memantine impurity A. Memantine Related Compound A (1,3-Dimethyladamantane).
What are the applications of Application
1,3-Dimethyladamantane was used in the synthesis of 1,3-dibromo-5,7-dimethyladamantane.
Definition
ChEBI: 1,3-dimethyladamantane is a polycyclic alkane and a member of adamantanes. It derives from a hydride of an adamantane.
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.
Properties of 1,3-Dimethyladamantane
| Melting point: | -30 °C |
| Boiling point: | 201.5 °C |
| Density | 0.886 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 127 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Specific Gravity | 0.886 |
| Stability: | Stable. Incompatible with strong oxidizing agents. Flammable. |
| InChI | InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3 |
| CAS DataBase Reference | 702-79-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Adamantane, 1,3-dimethyl-(702-79-4) |
Safety information for 1,3-Dimethyladamantane
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
Computed Descriptors for 1,3-Dimethyladamantane
| InChIKey | CWNOIUTVJRWADX-UHFFFAOYSA-N |
| SMILES | C12(C)CC3CC(CC(C)(C3)C1)C2 |
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