3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID
- Product Name
- 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID
- CAS No.
- 14670-94-1
- Chemical Name
- 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID
- Synonyms
- AKOS BC-0371;AKOS B019696;ART-CHEM-BB B019696;CHEMBRDG-BB 4013910;1,3-DIMETHYLADAMANTAN-5-CARBOXYLIC ACID;3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID;3,5-DIMETHYL-1-ADAMANTANE CARBOXYLIC ACID;3,5-Dimethyladamantane-1-carboxylic acid 97%;(3R,5S)-3,5-dimethyl-1-adamantanecarboxylate;3,5-
DiMethyladaMantane- 1- carboxylic acid - CBNumber
- CB3447295
- Molecular Formula
- C13H20O2
- Formula Weight
- 208.3
- MOL File
- 14670-94-1.mol
3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Property
- Melting point:
- 97-105 °C
- Boiling point:
- 324.1±10.0 °C(Predicted)
- Density
- 1.183±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Sparingly Soluble (0.14 g/L) (25°C)
- pka
- 4.88±0.60(Predicted)
- form
- crystalline powder
- color
- White to off-white
- InChI
- InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
- InChIKey
- BSWOQWGHXZTDOO-UHFFFAOYSA-N
- SMILES
- C12(C(O)=O)CC3(C)CC(CC(C)(C3)C1)C2
- CAS DataBase Reference
- 14670-94-1(CAS DataBase Reference)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 679984
- Product name
- 3,5-Dimethyladamantane-1-carboxylic acid
- Purity
- 97%
- Packaging
- 1g
- Price
- $53.1
- Updated
- 2023/06/20
- Product number
- B401375
- Product name
- 3,5-Dimethyladamantane-1-carboxylic acid
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- B401375
- Product name
- 3,5-Dimethyladamantane-1-carboxylic acid
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- OR0409
- Product name
- 3,5-Dimethyladamantane-1-carboxylic acid
- Purity
- 95%
- Packaging
- 1g
- Price
- $32
- Updated
- 2021/12/16
- Product number
- 2221-1-16
- Product name
- 3,5-Dimethyladamantane-1-carboxylic acid
- Purity
- 95%
- Packaging
- 1g
- Price
- $36
- Updated
- 2021/12/16
3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Chemical Properties,Usage,Production
Chemical Properties
white to light yellow crystal powde
Uses
3,5-Dimethyladamantane-1-carboxylic acid, is used as a pharmaceutical and API intermediate.
Synthesis
64-18-6
707-37-9
14670-94-1
To the same reaction apparatus as shown in Example 1 was added 3,5-dimethyl-1-adamantanol (purity: 99%, 30.0 g), followed by 96% (mass fraction) concentrated sulfuric acid (208 g). After stirring the mixture at room temperature until the ingredients were completely dissolved, the reaction system was cooled to a temperature range of 10 °C to 20 °C, and formic acid (7.76 g) was added dropwise at this temperature, the dropwise addition process lasted for 30 min. After the dropwise addition, the reaction mixture was warmed up to 35 °C and kept at this temperature for 3 hours. The reaction process was monitored by gas chromatography (GC), which confirmed 100% conversion of 3,5-dimethyl-1-adamantanol and 92.6% yield of 3,5-dimethyl-1-adamantanecarboxylic acid. Subsequently, the reaction system was again cooled to a temperature range of 10 °C to 20 °C and 70% (mass fraction) nitric acid (19.6 g) was added dropwise over 30 minutes. After completion of the dropwise addition, the reaction mixture was warmed up to 50 °C and kept at this temperature for 5 h of reaction. The reaction progress was monitored by GC and it was confirmed that the conversion of 3,5-dimethyl-1-adamantane carboxylic acid was 100% and the yield of 3-hydroxy-5,7-dimethyladamantane-1-carboxylic acid was 98.0%. Next, a mixed solution was prepared by adding sodium hydroxide (90.2 g), sodium sulfite (35.5 g), and deionized water (812 g) to the same purification apparatus as shown in Example 1, and the solution was cooled. A reaction mixture containing 3-hydroxy-5,7-dimethyladamantane-1-carboxylic acid was added to the above mixed solution under the condition that the solution temperature was maintained in the range of 10 °C to 40 °C. Subsequently, the precipitated crystals were collected by filtration and washed with deionized water. Finally, the crystals were dried under reduced pressure at 40 °C for 8 h to obtain white crystals of 3-hydroxy-5,7-dimethyladamantane-1-carboxylic acid (32.6 g, yield: 87.5%).
References
[1] Patent: US9051256, 2015, B1. Location in patent: Page/Page column 8; 9
3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
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View Lastest Price from 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID manufacturers
- Product
- 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID 14670-94-1
- Price
- US $1.00/kg
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2018-12-21