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2-Hydroxybenzoic acid - (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1)(CAS: 57-64-7)

2-Hydroxybenzoic acid - (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate (1:1)
CAS Number

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Basic Information

Molecular Formula
C22H27N3O5
Molecular Weight
413.47 g/mol

Physical Properties

Melting Point
181-183 °C

Chemical Identifiers

SMILES
CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O
InChIKey
HZOTZTANVBDFOF-PBCQUBLHSA-N

Database References

MDL Number
MFCD00135659

FAQ

2-Hydroxybenzoic acid - (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate is a crystalline solid with a molecular weight of approximately 454.56 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it has moderate reactivity, mainly undergoing esterification and hydrolysis reactions. It is stable under normal conditions but care should be taken to avoid prolonged exposure to moisture and heat.
2-Hydroxybenzoic acid - (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate is synthesized through a multistep process involving the reaction of 2-hydroxybenzoic acid with a trimethylindoline derivative under basic conditions. Commonly, sodium hydride is used as a catalyst, and the reaction yields up to 85% purity of the target compound. The process is optimized for high selectivity and yield.
2-Hydroxybenzoic acid - (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate is primarily used in the pharmaceutical and agrochemical industries. It serves as a key intermediate in the synthesis of various bioactive compounds. Additionally, it finds applications in the formulation of cosmetics and flavorings due to its unique chemical structure.
When handling 2-Hydroxybenzoic acid - (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate, it is crucial to wear appropriate personal protective equipment such as gloves, goggles, and a laboratory coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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