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(1R,3S,4S)-tert-butyl 3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate(CAS: 1256387-87-7)

(1R,3S,4S)-tert-butyl 3-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CAS Number

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Basic Information

Molecular Formula
C24H34BN3O4
Molecular Weight
439.37 g/mol

Chemical Identifiers

SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(N3)C4C5CCC(C5)N4C(=O)OC(C)(C)C
InChIKey
MYPUONINDNZBTH-GMBSWORKSA-N

Database References

MDL Number
MFCD28386938

FAQ

The compound has a crystalline form suitable for solid-state applications. Its molecular weight is approximately 494.5 g/mol. It is slightly soluble in water but has good solubility in polar organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Reactivity is moderate, with potential for hydrolysis under basic conditions. It is stable to heat and light but should be stored in the dark to prevent degradation.
This compound is typically synthesized via a multistep process involving the coupling of an azabicycline and a 1,3,2-dioxaborolane derivative under basic conditions. The reaction uses a palladium catalyst and is conducted in the presence of a base such as potassium carbonate. The yield is generally moderate to good, with high selectivity to the desired enantiomer. Detailed procedures can be found in relevant chemical literature.
This compound is primarily used in pharmaceuticals for drug synthesis, particularly in the development of new therapeutic agents. It also finds applications in polymer science for the synthesis of novel materials, and in sensor technology for detecting specific chemical compounds. Its potential in semiconductor manufacturing as a precursor is also under exploration.
Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling this compound. It should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up with caution, using appropriate absorbent materials. In case of skin contact, wash thoroughly with soap and water. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions. This compound is not flammable but may decompose under strong acidic or basic conditions.

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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