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tert-butyl-[cyano(phenyl)methylidene]amino carbonate(CAS: 58632-95-4)

tert-butyl-[cyano(phenyl)methylidene]amino carbonate
CAS Number

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Basic Information

Molecular Formula
C13H14N2O3
Molecular Weight
246.26 g/mol

Physical Properties

Melting Point
85.0 to 89.0 deg-C
Boiling Point
324.1°C at 760 mmHg
Density
1.1855 (rough estimate)
Flash Point
149.8℃

Chemical Identifiers

SMILES
CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC=C1
InChIKey
QQWYQAQQADNEIC-RVDMUPIBSA-N

Database References

MDL Number
MFCD00001863
Beilstein Registry Number
2217296

FAQ

tert-butyl-[cyano(phenyl)methylidene]amino carbonate is a white or off-white crystalline solid with a molecular weight of approximately 287.35 g/mol. Its solubility in water is low, around 0.01 g/L at 25°C. It is reactive, particularly when exposed to moisture, and can undergo hydrolysis to form amino acid derivatives. The compound is stable under normal atmospheric conditions but should be stored in airtight containers to prevent degradation.
tert-butyl-[cyano(phenyl)methylidene]amino carbonate is synthesized via the reaction of tert-butyl carbamate with phenyl isonitrile in the presence of a suitable base, such as triethylamine. The reaction typically proceeds with good yield and selectivity, and the product is purified by recrystallization from an appropriate solvent.
tert-butyl-[cyano(phenyl)methylidene]amino carbonate is used in the pharmaceutical industry for the synthesis of various amino acid derivatives and in the polymer industry as a stabilizer. It also finds applications in the sensor and semiconductor industries due to its reactivity and functional groups.
When handling tert-butyl-[cyano(phenyl)methylidene]amino carbonate, it is essential to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from moisture and heat sources. Spills should be cleaned up with caution, using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed emergency procedures and storage recommendations.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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