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(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (1:1)(CAS: 112022-83-0)

(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate (1:1)
CAS Number

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Basic Information

Molecular Formula
C18H22BNO2
Molecular Weight
277.18 g/mol

Physical Properties

Melting Point
85-95 °C (lit.)
Boiling Point
111 °C
Water Solubility
Not miscible or difficult to mix in water.

Chemical Identifiers

SMILES
B1(N2CCCC2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChIKey
FGHJEXMVXZAHBO-UNTBIKODSA-N

Database References

MDL Number
MFCD00078440
Beilstein Registry Number
9059874

FAQ

(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate is a solid with a crystalline form. Its molecular weight is approximately 354.31 g/mol. It has limited solubility in water, but good solubility in organic solvents. It reacts readily with strong acids and bases. This compound is stable under normal conditions but may degrade under extreme pH conditions or high temperatures.
(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate is synthesized through a multi-step reaction involving the boronation of a pyrrole derivative followed by ring closure. The reaction typically uses borane as a reducing agent, with triethylamine as a base. The yield is around 60-70%, depending on the reaction conditions and purity of the starting materials.
(3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate is used in the pharmaceutical industry for its potential as a drug candidate. It can also be used in the sensor industry for detecting specific chemical or biological analytes. Additionally, it may have applications in the semiconductor industry, particularly in photolithography processes.
When handling (3aR)-1-Methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole hydrate, it is important to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up promptly using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling instructions 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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