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Cas Database |
| Name |
3-Hydroxyadamantane-1-carboxylic acid |
EINECS | N/A |
| CAS No. | 42711-75-1 | Density | 1.419 g/cm3 |
| PSA | 57.53000 | LogP | 1.40230 |
| Solubility | N/A | Melting Point |
203 °C |
| Formula | C11H16O3 | Boiling Point | 357.2 °C at 760 mmHg |
| Molecular Weight | 196.246 | Flash Point | 184 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Adamantanecarboxylicacid, 3-hydroxy- (7CI);1-Carboxy-3-adamantanol;3-Carboxy-1-hydroxyadamantane;Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-hydroxy-; |
Article Data | 34 |
3-Hydroxyadamantane-1-carboxylic acid Synthetic route
- 828-51-3
1-Adamantanecarboxylic acid
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at 0℃; | 98% |
| Stage #1: 1-Adamantanecarboxylic acid With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water; tert-butyl alcohol at 40℃; for 0.5h; Green chemistry; Stage #2: With potassium permanganate In water; tert-butyl alcohol at 60℃; for 8.5h; Green chemistry; | 94.12% |
| With nitric acid at 10 - 35℃; for 3.5h; Time; | 92.6% |
- 828-51-3
1-Adamantanecarboxylic acid
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With acetic acid | 80% |
- 770-71-8
1-adamantanemethanol
A
- 38584-37-1
1-hydroxy-3-hydroxymethyladamantane
B
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 1-adamantanemethanol With nitric acid at 20℃; for 1h; Stage #2: With hydrazine hydrate In butan-1-ol for 3h; Reflux; | A 75% B 8% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-adamantandiol With sulfuric acid at 35℃; for 0.5h; Stage #2: formic acid at 20 - 40℃; for 3h; | 38% |
- 828-51-3
1-Adamantanecarboxylic acid
A
- 56674-87-4
4-oxoadamantane-1-carboxylic acid
B
- 81968-77-6
4-hydroxyadamantane-1-carboxylic acid
C
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; phosphate buffer; oxygen; iron(II) sulfate In water at 40℃; for 3h; Product distribution; investigation of the oxy-functionalization of adamantane-1-carboxylic acid; | A 12% B 5% C 34% |
- 21816-08-0
3-bromoadamantane-1-carboxylic acid
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With silver nitrate In 1,4-dioxane |
- 828-51-3
1-Adamantanecarboxylic acid
A
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
B
- 880-50-2
3-fluoro-1-adamantane-carboxylic acid
| Conditions | Yield |
|---|---|
| With difluoroether |
- 68435-07-4
1-methoxycarbonyl-3-hydroxyadamantane
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol |
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; water; triethylamine solvolysis; |
- 768-90-1
1-Adamantyl bromide
- 42711-75-1
3-hydroxyadamantane-1-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sulfuric acid / 20 °C 1.2: 4.5 h / 10 - 35 °C 2.1: nitric acid / 5.5 h / 10 - 35 °C View Scheme |
3-Hydroxyadamantane-1-carboxylic acid Chemical Properties
Molecule structure of 3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1):
IUPAC Name: (5S,7R)-3-Hydroxyadamantane-1-carboxylate
Molecular Weight: 196.24 g/mol
Molecular Formula: C11H16O3
Melting Point: 203 °C
Index of Refraction: 1.638
Molar Refractivity: 49.72 cm3
Molar Volume: 138.2 cm3
Surface Tension: 77.2 dyne/cm
Density: 1.419 g/cm3
Flash Point: 184 °C
Enthalpy of Vaporization: 69.75 kJ/mol
Boiling Point: 357.2 °C at 760 mmHg
Vapour Pressure: 1.55E-06 mmHg at 25 °C
SMILES: O=C(O)C13CC2CC(CC(O)(C1)C2)C3
InChI: InChI=1/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
InChIKey: CJJMAWPEZKYJAP-UHFFFAOYAF
Product Categories of 3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1: Adamantane derivatives;Carboxylic Acids;Carboxylic Acids;Ring Systems
3-Hydroxyadamantane-1-carboxylic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
Hazard Note: Irritant
HazardClass: IRRITANT
3-Hydroxyadamantane-1-carboxylic acid Specification
3-Hydroxyadamantane-1-carboxylic acid (CAS NO.42711-75-1) is also named as 1-carboxy-3-hydroxyadamantane ; 3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid ; tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 3-hydroxy- ; 1-Carboxy-3-adamantanol ; 3-Carboxy-1-hydroxyadamantane ; 3-hydroxy-1-adamantanecarboxylic acid ; 3-Hydroxy-adamantane-1-carboxylic acid ; 3-hydroxyadamantanecarboxylic acid ; 3-Hydroxytricyclo[3.3.1.13,7]decane-1-carboxylic acid .
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