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702-82-9

Basic Information
CAS No.: 702-82-9
Name: 3-Amino-1-hydroxyadamantane
Article Data: 34
Molecular Structure:
Molecular Structure of 702-82-9 (3-Amino-1-hydroxyadamantane)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 46.25000
LogP: 1.72910
Synthetic route
67496-92-8

3-nitroadamantan-1-ol

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
95%
665-66-7

amantadine hydrochloride

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
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%
768-94-5

1-Adamantanamine

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
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;
778-10-9

N-(3-hydroxyadamantan-1-yl)acetamide

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
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
ConditionsYield
Stage #1: N-(1-adamantyl)acetamide With nitric acid
Stage #2: With acetic acid; urea In water
A 11%
B n/a
C 13%

C10H17N*BF4(1-)*H(1+)

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
With methyltrifluoromethyldioxirane; sodium carbonate 1.) CH3CN, CH2Cl2, 0 deg C, 3 h, 2.) CH2Cl2, RT, 5 h; Yield given. Multistep reaction;

3-methylenebicyclo<3.3.1>nonan-7-one

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
With ammonium hydroxide at 130℃;
665-66-7

amantadine hydrochloride

A

3-hydroxytricyclo[3.3.1.13.7 ]decan-1-amine

3-hydroxytricyclo[3.3.1.13.7 ]decan-1-amine

B

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
With sodium hydroxide
243145-00-8

3-nitro-1-amantadine

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
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
768-95-6

1-adamanthanol

702-82-9

3-aminoadamantan-1-ol

Conditions
ConditionsYield
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
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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;