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1,3-Dimethyladamantane

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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 Molecular Structure of 702-79-4 (1,3-Dimethyladamantane) Hazard Symbols FlammableF
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

941-37-7

3,5-dimethyl-1-bromoadamantane

702-79-4

1,3-dimethyladamantane

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In dibutyl ether at 95℃;A 2%
B 98%
2146-36-3

decahydroacenaphthene

702-79-4

1,3-dimethyladamantane

Conditions
ConditionsYield
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%
281-23-2

adamantane

74-88-4

methyl iodide

A

702-79-4

1,3-dimethyladamantane

768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With Rh(PPh3)3Cl In dichloromethane at 150℃; for 3h;A 79%
B 21%
2146-36-3

decahydroacenaphthene

A

702-79-4

1,3-dimethyladamantane

B

770-69-4

1-ethyladamantane

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With Y-zeolite(Na/H 0.97) In hexane at 300℃; for 10h; Autoclave; Sealed tube;A 67%
B 6%
C 22%
876-53-9

1,3-dibromoadamantane

75-16-1

methylmagnesium bromide

A

702-79-4

1,3-dimethyladamantane

B

281-23-2

adamantane

768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
In dibutyl ether at 140℃;A 52%
B 4%
C 44%
876-53-9

1,3-dibromoadamantane

75-16-1

methylmagnesium bromide

A

702-79-4

1,3-dimethyladamantane

B

281-23-2

adamantane

C

702-77-2

1-bromo-3-methyladamantane

Conditions
ConditionsYield
In dibutyl ether at 140℃;A 52%
B 4%
C 44%

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: FlammableF
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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