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| CAS No.: | 941-37-7 |
|---|---|
| Name: | 1-Bromo-3,5-dimethyladamantane |
| Molecular Structure: | |
|
|
|
| Formula: | C12H19Br |
| Molecular Weight: | 243.187 |
| Synonyms: | Adamantane,1-bromo-3,5-dimethyl- (7CI,8CI);1,3-Dimethyl-5-bromoadamantane;3,5-Dimethyl-1-bromoadamantane;NSC 102293; |
| EINECS: | 213-378-9 |
| Density: | 1.365 g/cm3 |
| Boiling Point: | 248.3 °C at 760 mmHg |
| Flash Point: | 108.9 °C |
| Appearance: | clear colorless oil |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36 |
| Safety: | 26-27-36/37/39-45 |
| PSA: | 0.00000 |
| LogP: | 4.13030 |
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| Conditions | Yield |
|---|---|
| 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% |
- 19982-07-1
1-acetamido-3,5-dimethyladamantane
A
- 707-37-9
1,3-dimethyl-5-adamantanol
B
- 941-37-7
3,5-dimethyl-1-bromoadamantane
C
- 19982-08-2
memantine*
D
- 41100-52-1
memantine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 1-acetamido-3,5-dimethyladamantane With sodium hydroxide In diethylene glycol at 105 - 170℃; for 10h; Stage #2: With hydrogenchloride In water; toluene at 5 - 15℃; for 2.5h; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide In water for 0.666667h; Inert atmosphere; |
- 702-79-4
1,3-dimethyladamantane
A
- 707-37-9
1,3-dimethyl-5-adamantanol
B
- 941-37-7
3,5-dimethyl-1-bromoadamantane
| Conditions | Yield |
|---|---|
| With pyridine; carbon tetrabromide; water; manganese(III) acetylacetonate Catalytic behavior; Concentration; Temperature; Time; Heating; |
| 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 |
| Conditions | Yield |
|---|---|
| With dimanganese decacarbonyl at 120 - 130℃; Inert atmosphere; Autoclave; | 99% |
| at 125℃; Temperature; | 94% |
| at 70 - 160℃; for 6h; Temperature; Inert atmosphere; | 92.4% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In N,N-dimethyl-formamide for 1.5h; | 98% |
| With sodium hydroxide In ethanol at 70℃; Temperature; | 85% |
| With potassium carbonate at 150℃; for 6h; | |
| With sodium hydroxide In water for 4h; Reflux; |
- 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 dimanganese decacarbonyl at 120 - 130℃; Inert atmosphere; Autoclave; | 98% |
| Conditions | Yield |
|---|---|
| With dimanganese decacarbonyl at 120 - 130℃; Inert atmosphere; Autoclave; | 97% |
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Specification
1-Bromo-3,5-dimethyladamantane, with the CAS NO.941-37-7, is also named as 3,5-dimethyl-1-bromo- adamantane; 1-Bromo-3,5-Dimethyl; 1-BROMO-3,5- DIMETHYL DAMANTANE; 1,3-Dimethyl-5-bromoadamantane; tricyclo[3.3.1.1~3,7~]decane, 1-bromo-3,5-dimethyl-; NSC 102293. It belongs to the Product Categories of Chemical intermediate for Memantine HCl; Adamantane derivatives; Adamantanes; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks.
Physical properties about 1-Bromo-3,5-dimethyladamantane are: (1)ACD/LogP: 4.776; (2)ACD/LogD (pH 5.5): 4.78; (3)ACD/LogD (pH 7.4): 4.78; (4)ACD/BCF (pH 5.5): 2509.15; (5)ACD/BCF (pH 7.4): 2509.15; (6)ACD/KOC (pH 5.5): 9440.12; (7)ACD/KOC (pH 7.4): 9440.12; (8)Index of Refraction: 1.578; (9)Molar Refractivity: 59.127 cm3; (10)Molar Volume: 178.067 cm3 ; (11)Polarizability: 23.44 10-24cm3; (12)Surface Tension: 45.2379989624023 dyne/cm; (13)Density: 1.366 g/cm3; (14)Flash Point: 108.889 °C; (15)Enthalpy of Vaporization: 46.586 kJ/mol; (16)Boiling Point: 248.315 °C at 760 mmHg; (17)Vapour Pressure: 0.0379999987781048 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Take off immediately all contaminated clothing;
3. Wear suitable protective clothing, gloves and eye/face protection;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
You can still convert the following datas into molecular structure:
(1)InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3;
(2)InChIKey=QUCXLVDIVQWYJR-UHFFFAOYSA-N;
(3)SmilesC12(C[C@@]3(C)CC(C2)C[C@@](C1)(C3)C)Br;