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2-Methyl-2-propanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate(CAS: 847728-89-6)

2-Methyl-2-propanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate
CAS Number

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Basic Information

Molecular Formula
C13H18BrNO2
Molecular Weight
300.2 g/mol

Physical Properties

Density
1.282±0.06 g/cm3 (20 ºC 760 Torr)

Chemical Identifiers

SMILES
C[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1
InChIKey
KECPRZHCNCDSET-VIFPVBQESA-N

Database References

MDL Number
MFCD11506011

FAQ

The compound is a white crystalline solid with a molecular weight of approximately 328.07 g/mol. It has a low water solubility and is soluble in organic solvents like dichloromethane and ethanol. Chemically, it is moderately reactive, especially towards nucleophiles due to its carbamate functionality.
The compound is synthesized via the reaction of (1S)-1-(4-bromophenyl)ethanamine with 2-methyl-2-propanoyl isocyanate. The process involves a nucleophilic substitution reaction and typically yields up to 85% of the desired product with good selectivity.
This compound is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds application in the polymer industry for modifying polymer properties and in the sensor and semiconductor industries for specialized chemical functionalities.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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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