2-Adamantone-5-carboxylic acid
- Product Name
- 2-Adamantone-5-carboxylic acid
- CAS No.
- 56674-87-4
- Chemical Name
- 2-Adamantone-5-carboxylic acid
- Synonyms
- 4-OXO-1-ADAMANTANECARBOXYLIC ACID;AKOS BC-0516;Adamantane Impurity 15;5-Carboxy-2-Adamantanone;1-Carboxy-4-adamantanone;1-Carboxy-4-oxoadamantane;2-Adamantone-5-carboxylic acid;2-ADAMANTANONE-5-CARBOXYLIC ACID;4-KETO-1-ADAMANTANECARBOXYLIC ACID;4-ketoadamantane-1-carboxylic acid
- CBNumber
- CB4289043
- Molecular Formula
- C11H14O3
- Formula Weight
- 194.23
- MOL File
- 56674-87-4.mol
2-Adamantone-5-carboxylic acid Property
- Melting point:
- 169.5-171.0 °C(Solv: ethyl ether (60-29-7))
- Boiling point:
- 367.6±35.0 °C(Predicted)
- Density
- 1.358±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.45±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)
- InChIKey
- VFNJWHFPIRNNRQ-UHFFFAOYSA-N
- SMILES
- C12(C(O)=O)CC3CC(CC(C3=O)C1)C2
Safety
- HazardClass
- IRRITANT
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- A208240
- Product name
- 2-Adamantanone-5-carboxylicAcid
- Packaging
- 500mg
- Price
- $50
- Updated
- 2021/12/16
- Product number
- 077965
- Product name
- 2-Adamantanone-5-carboxylic acid
- Packaging
- 250mg
- Price
- $10
- Updated
- 2021/12/16
- Product number
- 077965
- Product name
- 2-Adamantanone-5-carboxylic acid
- Packaging
- 1g
- Price
- $12
- Updated
- 2021/12/16
- Product number
- 077965
- Product name
- 2-Adamantanone-5-carboxylic acid
- Packaging
- 5g
- Price
- $29
- Updated
- 2021/12/16
- Product number
- W7035
- Product name
- 2-Adamantanone-5-carboxylicacid
- Packaging
- 250mg
- Price
- $63
- Updated
- 2021/12/16
2-Adamantone-5-carboxylic acid Chemical Properties,Usage,Production
Uses
2-Adamantanone-5-carboxylic Acid is a reactant used in the synthesis of potent inhibitors targeting the drug-resistant mutant of Influenze A. Starting material for Saxagliptin impurities.
Synthesis
56674-88-5
56674-87-4
General procedure for the synthesis of 2-adamantanone-5-carboxylic acid from methyl 5-formate-2-adamantanone: To a mixture of 1.92 g (9.22 mmol) of methyl 5-formate-2-adamantanone (for preparation, see US20050245534) in THF (9 mL) and methanol (3 mL), an aqueous solution of 3N sodium hydroxide (6.15 mL. 18.4 mmol). The reaction mixture was stirred at room temperature for 16 hours. Upon completion of the reaction, methanol and THF were removed by concentration. the residue was cooled in an ice bath and the pH was adjusted slowly by addition of 6N aqueous HCl solution to about 1. After continued stirring for 30 min, the precipitate was collected by filtration, washed with water and partially dried over a filter. The resulting solid was dissolved in dichloromethane (400 mL) and dried by adding anhydrous sodium sulfate. After filtration, the filtrate was concentrated and dried under vacuum to give 1.50 g (84% yield) of 2-adamantanone-5-carboxylic acid as a white solid.HPLC analysis (Condition B): retention time 1.61 min.LCMS analysis (Condition B): m/z 193.3 [M+H]+.
References
[1] Patent: WO2012/125886, 2012, A1. Location in patent: Page/Page column 93
[2] Chemical and Pharmaceutical Bulletin, 1982, vol. 30, # 1, p. 67 - 73
[3] Patent: WO2009/156092, 2009, A2. Location in patent: Page/Page column 49
2-Adamantone-5-carboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-Adamantone-5-carboxylic acid manufacturers
- Product
- 2-Adamantone-5-carboxylic acid 56674-87-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 2000
- Release date
- 2025-06-19
- Product
- 2-Adamantone-5-carboxylic acid 56674-87-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1ton
- Release date
- 2022-09-22
- Product
- 2-Adamantone-5-carboxylic acid 56674-87-4
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-04-01