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Cas Database |
| Name |
1,3-Dimethyladamantane |
EINECS | 211-870-8 |
| CAS No. | 702-79-4 | Density | 0.972 g/cm3 |
| PSA | 0.00000 | LogP | 3.61280 |
| Solubility | Soluble in organic solvents,insoluble in water. | Melting Point |
-30 °C |
| Formula | C12H20 | Boiling Point | 199.9 °C at 760 mmHg |
| Molecular Weight | 164.291 | Flash Point | 52.8 °C |
| Transport Information | N/A | Appearance | clear colourless liquid |
| Safety | 16 | Risk Codes | 10 |
| Molecular Structure |
|
Hazard Symbols |
 F
|
| Synonyms |
Adamantane,1,3-dimethyl- (6CI,8CI);1,3-Dimethyltricyclo[3.3.1.13,7]decane;1,3-dimethyl-adamantane;Tricyclo[3.3.1.13,7]decane,1,3-dimethyl-; |
Article Data | 60 |
1,3-Dimethyladamantane Synthetic route
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride at 90℃; for 1h; Solvent; Barton-McCombie Deoxygenation; Inert atmosphere; | 100% |
| With decane; 2,2’-azobis(4-methoxy-2,4-dimethyl)valeronitrile; tri-n-butyl-tin hydride In toluene at 80℃; for 0.0166667h; | 99 % Chromat. |
| Multi-step reaction with 2 steps 1: 98 percent / aq. HCl / dimethylformamide / 1.5 h 2: H2SO4 (91.5percent) / 72 h / Ambient temperature; var. of conc.of H2SO4, and var. of reaction time View Scheme |
- 702-77-2
1-bromo-3-methyladamantane
- 75-16-1
methylmagnesium bromide
A
- 702-79-4
1,3-dimethyladamantane
- 768-91-2
1-methyl-adamantane
| Conditions | Yield |
|---|---|
| In dibutyl ether at 85℃; | A 99% B 1% |
- 941-37-7
3,5-dimethyl-1-bromoadamantane
- 75-16-1
methylmagnesium bromide
A
- 702-79-4
1,3-dimethyladamantane
B
- 707-35-7
1,3,5-trimethyladamantane
| Conditions | Yield |
|---|---|
| In dibutyl ether at 95℃; | A 2% B 98% |
| Conditions | Yield |
|---|---|
| With aluminium trichloride at 69.85℃; for 50h; | 90% |
| With hydrogen fluoride; boron trifluoride Temperature; Autoclave; | 75% |
| With Y-zeolite(Na/H 0.97) In hexane at 300℃; for 10h; Concentration; Temperature; Time; Autoclave; Sealed tube; | 65% |
| Conditions | Yield |
|---|---|
| With Rh(PPh3)3Cl In dichloromethane at 150℃; for 3h; | A 79% B 21% |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride; boron trifluoride at 100℃; for 4h; Temperature; Autoclave; | A 77% B 15% |
- 26919-42-6
(3,5-dimethyl-adamantan-1-yl)-methanol
- 702-79-4
1,3-dimethyladamantane
| Conditions | Yield |
|---|---|
| With cerium(III) chloride; 9,10-diphenylanthracene; 1,2-bis(2,4,6-triisopropylphenyl)disulfane; tetrabutyl-ammonium chloride In acetonitrile for 24h; Irradiation; Inert atmosphere; | 69% |
- 58865-53-5
(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene
A
- 702-79-4
1,3-dimethyladamantane
B
- 770-69-4
1-ethyladamantane
C
- 16267-35-9
1,4-dimethyladamantane
| Conditions | Yield |
|---|---|
| With Y-zeolite(Na/H 0.97) In hexane at 300℃; for 10h; Autoclave; Sealed tube; | A 67% B 6% C 22% |
1,3-Dimethyladamantane Chemical Properties
Molecular Structure: 
Molecular Formula: C12H20
Molecular Weight: 164.29
CAS NO: 702-79-4
EINECS: 211-870-8
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.52
Molar Refractivity: 51.44 cm3
Molar Volume: 168.9 cm3
Surface Tension: 39.1 dyne/cm
Density: 0.972 g/cm3
Flash Point: 52.8 °C
Enthalpy of Vaporization: 41.83 kJ/mol
Boiling Point: 199.9 °C at 760 mmHg
Vapour Pressure: 0.472 mmHg at 25°C
Melting Point: -30 °C
Stability: Stable. Incompatible with strong oxidizing agents. Flammable
Appearance: clear colourless liquid
IUPAC Name: 1,3-Dimethyladamantane
The chemical synonyms of 1,3-Dimethyladamantane (CAS NO.702-79-4): 1,3-Dimethyltricyclo(3.3.1.13,7)decane
Product Categories: Chemical intermediate for Memantine HCl;Adamantane derivatives;Adamantanes;Alkanes;Cyclic;Organic Building Blocks
1,3-Dimethyladamantane Safety Profile
1,3-Dimethyladamantane (CAS NO.702-79-4):
Hazard Codes: 
F
Risk Statements: 10
R10:Flammable.
Safety Statements: 16
S16:Keep away from sources of ignition.
RIDADR UN: 1993 3/PG 3
WGK Germany: 3
HazardClass: 3
PackingGroup: III
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