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| CAS No.: | 702-82-9 |
|---|---|
| Name: | 3-Amino-1-hydroxyadamantane |
| Molecular Structure: | |
|
|
|
| Formula: | C10H17NO |
| Molecular Weight: | 167.251 |
| Synonyms: | 1-Adamantanol,3-amino- (7CI,8CI);(3-Hydroxyadamantan-1-yl)amine;1-Amino-3-adamantanol;1-Amino-3-hydroxyadamantane;3-Aminoadamantan-1-ol; |
| EINECS: | 615-098-6 |
| Density: | 1.252 g/cm3 |
| Melting Point: | 265 °C (dec.)(lit.) |
| Boiling Point: | 266.8 °C at 760 mmHg |
| Flash Point: | 115.2 °C |
| Solubility: | Soluble in organic solvents,insoluble in water |
| Appearance: | slight yellow or white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.25000 |
| LogP: | 1.72910 |
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- 67496-92-8
3-nitroadamantan-1-ol
- 702-82-9
3-aminoadamantan-1-ol
| Conditions | Yield |
|---|---|
| 95% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 10 - 15℃; | 90% |
| With sulfuric acid; nitric acid at 0 - 10℃; for 2h; | 81% |
| Stage #1: amantadine hydrochloride With sulfuric acid; nitric acid at 0 - 20℃; Inert atmosphere; Stage #2: With sodium hydroxide In water | 72% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-Adamantanamine With sulfuric acid; nitric acid In water at 5 - 25℃; Stage #2: With water; sodium hydroxide at 0 - 40℃; for 1h; | 90% |
| With sulfuric acid; nitric acid at 0 - 10℃; for 2h; | 81% |
| With Bromotrichloromethane; water; molybdenum hexacarbonyl at 150℃; for 6h; Inert atmosphere; regioselective reaction; | 80% |
| With sulfuric acid; nitric acid at 90℃; Temperature; |
| Conditions | Yield |
|---|---|
| With isopropyl alcohol; sodium hydroxide at 160℃; for 6h; Temperature; Reagent/catalyst; Autoclave; Inert atmosphere; | 90% |
- 880-52-4
N-(1-adamantyl)acetamide
A
- 5001-18-3
1,3-adamantandiol
B
- 702-82-9
3-aminoadamantan-1-ol
C
- 778-10-9
N-(3-hydroxyadamantan-1-yl)acetamide
| Conditions | Yield |
|---|---|
| Stage #1: N-(1-adamantyl)acetamide With nitric acid Stage #2: With acetic acid; urea In water | A 11% B n/a C 13% |
- 702-82-9
3-aminoadamantan-1-ol
| Conditions | Yield |
|---|---|
| With methyltrifluoromethyldioxirane; sodium carbonate 1.) CH3CN, CH2Cl2, 0 deg C, 3 h, 2.) CH2Cl2, RT, 5 h; Yield given. Multistep reaction; |
- 702-82-9
3-aminoadamantan-1-ol
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 130℃; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 243145-00-8
3-nitro-1-amantadine
- 702-82-9
3-aminoadamantan-1-ol
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol at 30℃; for 0.5h; pH=> 14; Solvent; Reagent/catalyst; | 19.5g |
| With water; sodium hydroxide at 80℃; for 1.5h; pH=11 - 14; Temperature; pH-value; | 150.6 g |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 9,10-diphenylanthracene; tetrabutyl-ammonium chloride; methanol; cerium(III) chloride / acetonitrile / 1.1 h / 30 °C / Irradiation; Flow reactor; Inert atmosphere 2: dichloromethane / 2 h / 20 °C 3: hydrogen / methanol / 12 h / 20 °C View Scheme |
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Specification
3-amino-1-adamantanol, with the CAS NO.702-82-9, has the Synonyms of TRICYCLO[3.3.1.13,7]DECAN-1-OL, 3-AMINO-; CHEMBRDG-BB 4003530; 3-AMINO-1-ADAMANTANOL; 3-Amino-1-hydroxyadamantane; 3-AMINOADAMANTAN-1-OL; AKOS BB-9784; 1-AMINO-3-ADAMANTANOL; 1-AMINO-3-HYDROXYADAMANTANE. It belongs to the Product Categories of Heterocycles series;Alcohols and Derivatives;Amines and Anilines;Adamantane derivatives;Amines;Adamantanes;Fused Ring Systems;Amino Alcohols;Organic Building Blocks;Oxygen Compounds.
Physical properties about 3-amino-1-adamantanol are: (1)ACD/LogP: 0.459; (2)ACD/LogD (pH 5.5): -2.64; (3)ACD/LogD (pH 7.4): -2.29; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 47.167 cm3; (13)Molar Volume: 133.523 cm3; (14)Polarizability: 18.699 10-24cm3; (15)Surface Tension: 66.0400009155273 dyne/cm; (16)Density: 1.253 g/cm3; (17)Flash Point: 115.171 °C; (18)Enthalpy of Vaporization: 58.62 kJ/mol; (19)Boiling Point: 266.823 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:C1C2CC3(CC1CC(C2)(C3)O)N;
(2)Std. InChI:InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2/t7-,8+,9+,10-;
(3)Std. InChIKey:DWPIPTNBOVJYAD-FIRGSJFUSA-N;