2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile | CAS No. 899821-23-9
2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
Basic Information
CAS Number
899821-23-9
Molecular Formula
C16H19ClN2O
Molecular Weight
290.79 g/mol
AD
Basic Physical Properties
Synonyms & References
English
- ACP105
- ACP-105
- 2-Chloro-4-[(1R,5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
- BDBM50415086
- 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
- AMY32474
- ZKB82123
- 2-Chloro-4-[(1alpha,5alpha)-3alpha-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-yl]-3-methylbenzonitrile
- 2-Chloro-4-[(3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]oct-8-yl]-3-methylbenzonitrile (ACI)
- ACP 105
- 899821-23-9
- HY-112256
- CS-0044397
- MS-24152
- 2-chloro-4-[(1S,5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
- GLXC-15173
- SCHEMBL4469384
- 2-Chloro-4-[(3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]oct-8-yl]-3-methylbenzonitrile;
- AKOS040741043
- G16380
- ACP-105?
- DA-50179
- CHEMBL3084681
MDL Number
MFCD31692380
FAQ
What are the physical and chemical properties of 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile (CAS: 899821-23-9)?
2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile is a white solid with a molecular weight of approximately 329.9 g/mol. It has limited water solubility and excellent solubility in organic solvents. The compound is moderately reactive, particularly towards nucleophiles. It crystallizes in the form of prisms and exhibits good stability under normal conditions.
How is 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile (CAS: 899821-23-9) typically synthesized?
2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile is synthesized through a multistep process involving the reaction of 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octanone with 3-chloro-2,4-dimethylbenzonitrile, followed by cyclization. The reaction requires mild conditions and is typically catalyzed by a phosphine-based catalyst. The overall yield is moderate, around 60-70%, and the product is isolated by column chromatography.
What industries use 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile (CAS: 899821-23-9)?
2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile is primarily used in the pharmaceutical industry for the synthesis of complex molecules. It is also utilized in the development of certain sensors and materials due to its unique chemical properties. While its direct applications in polymers or semiconductors are limited, its structural features make it a valuable intermediate in organic synthesis.
What precautions should be taken when handling 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile (CAS: 899821-23-9)?
When handling 2-Chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area, preferably under a fume hood, to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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