Product Name

  • Name

    1,3-Dimethyladamantane

  • EINECS 211-870-8
  • CAS No. 702-79-4
  • Article Data60
  • CAS DataBase
  • Density 0.972 g/cm3
  • 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
  • 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-;
  • PSA 0.00000
  • LogP 3.61280

Synthetic route

3,5-dimethyl-1-bromoadamantane
941-37-7

3,5-dimethyl-1-bromoadamantane

1,3-dimethyladamantane
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
1-bromo-3-methyladamantane
702-77-2

1-bromo-3-methyladamantane

methylmagnesium bromide
75-16-1

methylmagnesium bromide

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
In dibutyl ether at 85℃;A 99%
B 1%
3,5-dimethyl-1-bromoadamantane
941-37-7

3,5-dimethyl-1-bromoadamantane

methylmagnesium bromide
75-16-1

methylmagnesium bromide

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

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

decahydroacenaphthene

1,3-dimethyladamantane
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%
adamantane
281-23-2

adamantane

methyl iodide
74-88-4

methyl iodide

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

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

decahydroacenaphthene

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1-ethyladamantane
770-69-4

1-ethyladamantane

Conditions
ConditionsYield
With hydrogen fluoride; boron trifluoride at 100℃; for 4h; Temperature; Autoclave;A 77%
B 15%
(3,5-dimethyl-adamantan-1-yl)-methanol
26919-42-6

(3,5-dimethyl-adamantan-1-yl)-methanol

1,3-dimethyladamantane
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%
(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene
58865-53-5

(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1-ethyladamantane
770-69-4

1-ethyladamantane

C

1,4-dimethyladamantane
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%
1,3-dibromoadamantane
876-53-9

1,3-dibromoadamantane

methylmagnesium bromide
75-16-1

methylmagnesium bromide

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
In dibutyl ether at 140℃;A 52%
B 4%
C 44%
1,3-dibromoadamantane
876-53-9

1,3-dibromoadamantane

methylmagnesium bromide
75-16-1

methylmagnesium bromide

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

C

1-bromo-3-methyladamantane
702-77-2

1-bromo-3-methyladamantane

Conditions
ConditionsYield
In dibutyl ether at 140℃;A 52%
B 4%
C 44%
1,3-dibromoadamantane
876-53-9

1,3-dibromoadamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With methylmagnesium bromide In dibutyl ether at 140℃;A 52%
B 4%
C 44%
(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene
58865-53-5

(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,2-dimethyladamantane
16207-81-1

1,2-dimethyladamantane

C

1-ethyladamantane
770-69-4

1-ethyladamantane

D

1,4-dimethyladamantane
16267-35-9

1,4-dimethyladamantane

Conditions
ConditionsYield
With Y-zeolite(Na/H 0.4) In hexane at 300℃; for 30h; Concentration; Time;A 49%
B 9%
C 11%
D 24%
With Y-zeolite(Na/H 0.4) In hexane at 300℃; for 10h; Concentration; Time;A 18%
B 8%
C 10%
D 21%
tetramethylsilane
75-76-3

tetramethylsilane

1-adamanthanol
768-95-6

1-adamanthanol

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

C

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

D

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 5h; Product distribution; other time;;A 33%
B n/a
C 10%
D 29%
E 13%
tetramethylsilane
75-76-3

tetramethylsilane

1-adamanthanol
768-95-6

1-adamanthanol

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 5h;A 33%
B 10%
C 29%
D 13%
With aluminum tri-bromide
ethyl-cyclohexane
1678-91-7

ethyl-cyclohexane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

trans-Decalin
493-02-7

trans-Decalin

D

1-ethyladamantane
770-69-4

1-ethyladamantane

E

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminium trichloride; tertiary butyl chloride at 160℃; for 15h; Product distribution;A 18.76%
B 6.3%
C 1.25%
D 3.46%
E 15.01%
F 2.76%
methyl cyclohexane
82166-21-0

methyl cyclohexane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

trans-Decalin
493-02-7

trans-Decalin

D

1-ethyladamantane
770-69-4

1-ethyladamantane

E

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminium trichloride; tertiary butyl chloride at 160℃; for 15h; Product distribution;A 10.78%
B 7.79%
C 4.7%
D 4.25%
E 17.49%
F 1.5%
(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene
58865-53-5

(1α,4α,4aβ,5α,8α,8aβ)-decahydro-1,4:5,8-dimethanonaphthalene

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,4-dimethyladamantane
16267-35-9

1,4-dimethyladamantane

Conditions
ConditionsYield
With Y-zeolite(Na/H 0.4) In hexane at 300℃; for 10h; Concentration; Time;A 17%
B 15%
With Y-zeolite(Na/H 0.97) In hexane at 300℃; for 30h; Concentration; Time;A 6%
B 9%
(1-methylethyl)-cyclohexane
696-29-7

(1-methylethyl)-cyclohexane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

trans-Decalin
493-02-7

trans-Decalin

D

1-ethyladamantane
770-69-4

1-ethyladamantane

E

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminium trichloride; tertiary butyl chloride at 160℃; for 15h; Product distribution;A 8.98%
B 7.37%
C 7.47%
D 2.04%
E 13.24%
F 1.59%
isobutylcyclohexane
1678-98-4

isobutylcyclohexane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

trans-Decalin
493-02-7

trans-Decalin

D

1-ethyladamantane
770-69-4

1-ethyladamantane

E

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminium trichloride; tertiary butyl chloride at 160℃; for 15h; Product distribution;A 8.23%
B 8.26%
C 9.82%
D 0.59%
E 10.13%
F 1.33%
1-Adamantyl bromide
768-90-1

1-Adamantyl bromide

tetramethylsilane
75-76-3

tetramethylsilane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane at 20℃; for 0.166667h; Further byproducts given;A 32 % Chromat.
B 21 % Chromat.
C 39 % Chromat.
With aluminum tri-bromide In dichloromethane at 20℃; for 1h; Further byproducts given;A 35 % Chromat.
B 13 % Chromat.
C 37 % Chromat.
1-Adamantyl bromide
768-90-1

1-Adamantyl bromide

tetramethylsilane
75-76-3

tetramethylsilane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

C

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

D

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 0.166667h; Product distribution; other time; various ratios of the educts and AlBr3; AlCl3 instead AlBr3;
1-Adamantyl bromide
768-90-1

1-Adamantyl bromide

tetramethylsilane
75-76-3

tetramethylsilane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

C

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane at 20℃; for 0.166667h; Yield given. Yields of byproduct given;
1-Adamantyl bromide
768-90-1

1-Adamantyl bromide

tetramethylsilane
75-76-3

tetramethylsilane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 1h; Yield given. Further byproducts given. Yields of byproduct given;
With aluminum tri-bromide In dichloromethane at 40℃; for 1.5h; Yield given. Further byproducts given. Yields of byproduct given;
methyl bromide
74-83-9

methyl bromide

1-bromo-3-methyladamantane
702-77-2

1-bromo-3-methyladamantane

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

Conditions
ConditionsYield
With magnesium 1.) n-butyl ether, 2.) n-butyl ether, 70 deg C; Yield given. Multistep reaction;
tetramethylsilane
75-76-3

tetramethylsilane

1-chloroadamantane
935-56-8

1-chloroadamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 0.166667h; Further byproducts given;A 37 % Chromat.
B 12 % Chromat.
C 38 % Chromat.
With aluminum tri-bromide In dichloromethane at 20℃; for 1h; Further byproducts given;A 35 % Chromat.
B 12 % Chromat.
C 34 % Chromat.
tetramethylsilane
75-76-3

tetramethylsilane

1-chloroadamantane
935-56-8

1-chloroadamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

adamantane
281-23-2

adamantane

C

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

D

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 0.166667h; Product distribution; other time; various ratios of the educts and AlBr3;
tetramethylsilane
75-76-3

tetramethylsilane

1-chloroadamantane
935-56-8

1-chloroadamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 0.166667h; Yield given. Further byproducts given. Yields of byproduct given;
With aluminum tri-bromide In dichloromethane at 20℃; for 1h; Yield given. Further byproducts given. Yields of byproduct given;
tetramethylsilane
75-76-3

tetramethylsilane

adamantane
281-23-2

adamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 3h; Yield given. Yields of byproduct given;
tetramethylsilane
75-76-3

tetramethylsilane

adamantane
281-23-2

adamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5,7-tetramethyladamantane
1687-36-1

1,3,5,7-tetramethyladamantane

C

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

E

1,3,5-Trimethyl-7-ethyladamantane
2109-06-0

1,3,5-Trimethyl-7-ethyladamantane

F

1,2,3,5,7-pentamethyladamantane
30904-21-3

1,2,3,5,7-pentamethyladamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 6h; Product distribution; other time; other temperature; AlCl3 instead AlBr3;
tetramethylsilane
75-76-3

tetramethylsilane

adamantane
281-23-2

adamantane

A

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

B

1,3,5-trimethyladamantane
707-35-7

1,3,5-trimethyladamantane

1-methyl-adamantane
768-91-2

1-methyl-adamantane

Conditions
ConditionsYield
With aluminum tri-bromide In dichloromethane at 20℃; for 6h; Yield given. Yields of byproduct given;
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

di-1-(3,5-dimethyladamantyl)phosphinic chloride

di-1-(3,5-dimethyladamantyl)phosphinic chloride

Conditions
ConditionsYield
With aluminum (III) chloride; phosphorus trichloride for 5h; Inert atmosphere; Reflux;99%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1-formamido-3,5-dimethyltricyclo[3.3.1.13,7]decane
351329-88-9

1-formamido-3,5-dimethyltricyclo[3.3.1.13,7]decane

Conditions
ConditionsYield
Stage #1: 1,3-dimethyladamantane With sulfuric acid; nitric acid at 20 - 25℃; for 6.5h;
Stage #2: formamide at 30 - 35℃; for 3h;
96.96%
Stage #1: 1,3-dimethyladamantane With sulfuric acid; nitric acid at 0 - 5℃;
Stage #2: formamide at 55 - 60℃; for 2h;
Stage #3: With ammonia In dichloromethane; water at 0 - 25℃;
95%
Stage #1: 1,3-dimethyladamantane With sulfuric acid; nitric acid at 0℃; for 6h;
Stage #2: formamide at 0 - 20℃; for 2.5h; Ritter-type reaction; Further stages.;
89%
Stage #1: 1,3-dimethyladamantane With sulfuric acid; nitric acid at 0℃;
Stage #2: formamide at 0 - 20℃;
89.3%
Stage #1: 1,3-dimethyladamantane With sulfuric acid; nitric acid at 0℃;
Stage #2: formamide at 0 - 20℃; for 2h;
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

trifluoroacetic acid
76-05-1

trifluoroacetic acid

1,3-dimethyl-5-adamantanol
707-37-9

1,3-dimethyl-5-adamantanol

Conditions
ConditionsYield
Stage #1: 1,3-dimethyladamantane; trifluoroacetic acid With oxygen; sodium nitrite at 20℃; for 3h;
Stage #2: With hydrogenchloride Further stages.;
96%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

chlorophenylcarbene
19807-41-1

chlorophenylcarbene

C19H25Cl

C19H25Cl

Conditions
ConditionsYield
In benzene at 23℃; Kinetics;96%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1,3-dimethyl-5-adamantanol
707-37-9

1,3-dimethyl-5-adamantanol

Conditions
ConditionsYield
With water; bromine at 25℃; Reflux;95%
With oxygen; cobalt acetylacetonate In acetic acid at 80℃; under 760.051 Torr; for 15h;90%
With water; bromine for 2h; Ambient temperature;87%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

bis(3,5-dimethyl-1-adamantyl)phosphinic chloride
131211-29-5

bis(3,5-dimethyl-1-adamantyl)phosphinic chloride

Conditions
ConditionsYield
With aluminium trichloride; phosphorus trichloride at 75 - 85℃; for 5h;94.7%
N-[(1S)-amino(4-tolyl)oxido-λ4-sulfanylidene]tosylamide
816444-61-8

N-[(1S)-amino(4-tolyl)oxido-λ4-sulfanylidene]tosylamide

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

(S)-N-[[(3,5-dimethyl-1-adamantyl)amino](4-tolyl)oxido-λ4-sulfanylidene]tosylamide
1396022-02-8

(S)-N-[[(3,5-dimethyl-1-adamantyl)amino](4-tolyl)oxido-λ4-sulfanylidene]tosylamide

Conditions
ConditionsYield
With dirhodium tetrakis{(2S)-2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid}; bis(tertbutylcarbonyloxy)iodobenzene In methanol; 1,2-dichloro-ethane at -35℃; for 72h; Molecular sieve; diastereoselective reaction;94%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

3,5-dimethyl-1-bromoadamantane
941-37-7

3,5-dimethyl-1-bromoadamantane

Conditions
ConditionsYield
With aluminum (III) chloride; bromine In 1,2-dichloro-ethane at 15℃; Reagent/catalyst; Temperature; Solvent;92%
With bromine for 12h; Reflux;91.5%
With iron(III)-acetylacetonate; carbon tetrabromide at 150℃; for 3h; Sealed tube; Inert atmosphere;85%
2-amino-3-pyridinecarbonitrile
24517-64-4

2-amino-3-pyridinecarbonitrile

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

2-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)amino)nicotinonitrile
1514005-20-9

2-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)amino)nicotinonitrile

Conditions
ConditionsYield
With aluminum tri-bromide; carbon tetrabromide In neat (no solvent) at 15 - 20℃; for 0.0833333h; Green chemistry; chemoselective reaction;92%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

acetonitrile
75-05-8

acetonitrile

1,3‑diacetamido‑5,7‑dimethyladamantane
14931-70-5

1,3‑diacetamido‑5,7‑dimethyladamantane

Conditions
ConditionsYield
Stage #1: 1,3-dimethyladamantane With nitric acid at 25℃; for 1h;
Stage #2: acetonitrile for 0.5h;
Stage #3: acetonitrile With sulfuric acid at 20℃; for 4h; Ritter Amidation;
92%
Trifluoromethanesulfonamide
421-85-2

Trifluoromethanesulfonamide

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

N-((1,3,5,7)-3,5-dimethyladamantan-1-yl)-1,1,1-trifluoromethanesulfonamide
1309688-17-2

N-((1,3,5,7)-3,5-dimethyladamantan-1-yl)-1,1,1-trifluoromethanesulfonamide

Conditions
ConditionsYield
With bis(4-bromobenzoyloxy)iodobenzene; iodine In dichloromethane at 20℃; for 14h; Schlenk technique; Inert atmosphere; Irradiation;92%
methanol
67-56-1

methanol

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

carbon monoxide
201230-82-2

carbon monoxide

dimethyl 5,7-dimethyladamantane-1,3-dicarboxylate
24556-26-1

dimethyl 5,7-dimethyladamantane-1,3-dicarboxylate

Conditions
ConditionsYield
Stage #1: 1,3-dimethyladamantane; carbon monoxide With Al2Br7(1-)*CBr3(1+) In 1,2-dibromomethane at 0℃; under 760.051 Torr; for 3h;
Stage #2: methanol In 1,2-dibromomethane at 0 - 20℃; chemoselective reaction;
91%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

3,5-dimethyladamantan-1-yl nitrate
101821-77-6

3,5-dimethyladamantan-1-yl nitrate

Conditions
ConditionsYield
With nitric acid at 10℃;90.3%
With nitric acid In acetic acid at 20℃; for 1h;
With nitric acid for 3h; Cooling;
With nitric acid In acetic acid at 15 - 20℃; for 1h;
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

acetonitrile
75-05-8

acetonitrile

1-acetamido-3,5-dimethyladamantane
19982-07-1

1-acetamido-3,5-dimethyladamantane

Conditions
ConditionsYield
Stage #1: 1,3-dimethyladamantane With sulfuric acid; nitric acid at 0℃; for 6h;
Stage #2: acetonitrile at 0 - 20℃; for 3.5h; Ritter-type reaction; Further stages.;
90.3%
With sulfuric acid In tert-butyl alcohol at 60 - 65℃; for 18h; Ritter Amidation; Large scale;90%
With sulfuric acid at 60 - 80℃; for 10h; Ritter Amidation;73.5%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1,3‑dibromo‑5,7‑dimethyladamantane
21912-23-2

1,3‑dibromo‑5,7‑dimethyladamantane

Conditions
ConditionsYield
With bromine; iron In 1,2-dichloro-ethane at 25℃; Temperature; Reagent/catalyst; Solvent;90%
With bromine; iron at 20℃; for 1.5h; Bromination;83%
formic acid
64-18-6

formic acid

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

5,7-dimethyl-1,3-adamantanedicarboxylic acid
13928-68-2

5,7-dimethyl-1,3-adamantanedicarboxylic acid

Conditions
ConditionsYield
With sulfuric acid at 20 - 28℃; for 5h;90%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1-((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)-1H-benzo[d][1,2,3]triazole
1528767-79-4

1-((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With aluminum tri-bromide; carbon tetrabromide In neat (no solvent) at 15 - 20℃; for 0.0833333h; Green chemistry; chemoselective reaction;89%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

anthranilic acid nitrile
1885-29-6

anthranilic acid nitrile

2-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)amino)benzonitrile
1521610-22-9

2-(((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)amino)benzonitrile

Conditions
ConditionsYield
With aluminum tri-bromide; carbon tetrabromide In neat (no solvent) at 15 - 20℃; for 0.0833333h; Green chemistry; chemoselective reaction;87%
maleic anhydride
108-31-6

maleic anhydride

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

3-(3,5-Dimethyl-adamantan-1-yl)-dihydro-furan-2,5-dione
119347-82-9

3-(3,5-Dimethyl-adamantan-1-yl)-dihydro-furan-2,5-dione

Conditions
ConditionsYield
With di-tert-butyl peroxide In chlorobenzene at 150℃; for 5h;86%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1,3-difluoro-5,7-dimethyladamantane
60389-56-2

1,3-difluoro-5,7-dimethyladamantane

Conditions
ConditionsYield
With iodine pentafluoride In 1,2-dichloro-ethane at 80℃; for 12h; regioselective reaction;86%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

urethane
51-79-6

urethane

1-ethoxycarbonylamino-3,5-dimethyladamantane
118648-19-4

1-ethoxycarbonylamino-3,5-dimethyladamantane

Conditions
ConditionsYield
With nitric acid at 30℃; for 1h;85%
With nitric acid 1.) 25 deg C, 15 min, 2.) RT, 1 h; Yield given. Multistep reaction;
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

1-fluoro-3,5-dimethyladamantane
30934-81-7

1-fluoro-3,5-dimethyladamantane

Conditions
ConditionsYield
With iodine pentafluoride In dichloromethane at 10℃; for 12h; regioselective reaction;85%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

4-(tert-butyl)phenyl sulfamate

4-(tert-butyl)phenyl sulfamate

C22H33NO3S

C22H33NO3S

Conditions
ConditionsYield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; [bis(acetoxy)iodo]benzene; sodium hydrogencarbonate for 2h;85%
N-[(1S)-amino(4-tolyl)oxido-λ4-sulfanylidene]tosylamide
816444-61-8

N-[(1S)-amino(4-tolyl)oxido-λ4-sulfanylidene]tosylamide

1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

(1r,3R,5S,7r)-N-[N-(S)-(p-toluenesulfonyl)-p-toluenesulfonimidoyl]-3,5-dimethyladamantan-1-amine

(1r,3R,5S,7r)-N-[N-(S)-(p-toluenesulfonyl)-p-toluenesulfonimidoyl]-3,5-dimethyladamantan-1-amine

Conditions
ConditionsYield
With Rh2(S-N-(1,8-naphthoyl)alanine)4; bis(tertbutylcarbonyloxy)iodobenzene In methanol; 1,1,2,2-tetrachloroethane at -78 - -35℃; for 72h; Molecular sieve; Inert atmosphere;83%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

2,2,2-trifluoroethylsulfamate ester
92720-79-1

2,2,2-trifluoroethylsulfamate ester

C14H22F3NO3S

C14H22F3NO3S

Conditions
ConditionsYield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; [bis(acetoxy)iodo]benzene; sodium hydrogencarbonate for 2.5h;81%
1,3-dimethyladamantane
702-79-4

1,3-dimethyladamantane

phenyl sulfamate
19792-91-7

phenyl sulfamate

C18H25NO3S

C18H25NO3S

Conditions
ConditionsYield
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; [bis(acetoxy)iodo]benzene; sodium hydrogencarbonate for 2.5h;80%

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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