(2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate | CAS No. 94062-52-9
(2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate
Basic Information
CAS Number
94062-52-9
Molecular Formula
C23H29NO5S
Molecular Weight
431.55 g/mol
AD
Chemical Classification
Basic Physical Properties
Melting Point
158-162°C
Safety Information
View Safety InformationHazard Statement
H315
Causes skin irritation
Skin corrosion/irritation
Skin corrosion/irritation
H319
Causes serious eye irritation
Serious eye damage/eye irritation
Serious eye damage/eye irritation
H335
May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Synonyms & References
English
- (2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate
- (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid phenylmethyl ester 4-methylbenzenesulfonate
- L-OCTAHYDROINDOLE-2-CARBOXYLIC ACID BENZYL ESTER 4-METHYLBENZENESULFONATE
- 1H-Indole-2-carboxylic acid, octahydro-, phenylmethyl ester, [2S-(2α,3aβ,7aβ)]-, 4-methylbenzenesulfonate (9CI)
- AKOS016010411
- L-(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic Acid Benzyl Ester Tosylate Salt
- 2s-(2alpha,3alpha,beta,7alpha,beta-Octahydro-1H-indole-2-carboxylic acid phenyl methyl ester
- PTLASYHTXGUCJU-WDTSGDEMSA-N
- SCHEMBL1415100
- L-Octahydroindole-2-carboxylic acid benzyl ester 4-methylbenzenesulfonate
- F20573
- 94062-52-9
- (2S,3aS,7aS)-Benzyloctahydro-1H-indole-2-carboxylate4-methylbenzenesulfonate
- AS-15092
- (2s,3as,7as)-octahydroindole-2-carboxylic acid benzyl ester para-toluenesulfonate
- benzyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;4-methylbenzenesulfonic acid
- (2S,3aS,7aS)-octahydroindole-2-carboxylic acid-benzyl ester para toluene sulfonate
- (2S,3aS,7aS)-octahydroindole-2-carboxylic acid benzyl ester para-toluene-sulphonate
- MFCD09751101
MDL Number
MFCD09751101
Customs Code
2933990090
FAQ
What are the physical and chemical properties of (2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate (CAS: 94062-52-9)?
(2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate is a crystalline solid with a molecular weight of approximately 418.53 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound exhibits excellent stability under normal conditions but can react with strong acids or bases. It is often used in organic synthesis due to its reactivity and selective properties.
How is (2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate (CAS: 94062-52-9) typically synthesized?
(2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate is typically synthesized through a multistep process involving the coupling of benzyl octahydro-1H-indole-2-carboxylic acid with 4-methylbenzenesulfonyl chloride in the presence of a compatible base. Common catalysts include triethylamine or diisopropylethylamine, and the reaction is carried out under mild conditions. The overall yield is around 70-80%, with good regioselectivity.
What industries use (2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate (CAS: 94062-52-9)?
(2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate is primarily used in the pharmaceutical and fine chemicals industries for the synthesis of complex organic molecules. It is also utilized in the development of sensors and semiconductors, where its unique chemical properties contribute to the functionality of these materials.
What precautions should be taken when handling (2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate (CAS: 94062-52-9)?
When handling (2S,3aS,7aS)-Benzyl octahydro-1H-indole-2-carboxylate 4-methylbenzenesulfonate, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.
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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