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(S)-Cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate(CAS: 66230-04-4)

(S)-Cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CAS Number

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Basic Information

Molecular Formula
C25H22ClNO3
Molecular Weight
419.9 g/mol

Physical Properties

Melting Point
59 ºC
Boiling Point
151-167 ºC
Density
d2323 1.163
Flash Point
256°C

Chemical Identifiers

SMILES
CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)O[C@H](C#N)c2cccc(c2)Oc3ccccc3
InChIKey
NYPJDWWKZLNGGM-RPWUZVMVSA-N

Database References

MDL Number
MFCD00203302

FAQ

This compound is a crystalline solid with a molecular weight of approximately 456.3 g/mol. It has a low solubility in water (0.1 g/L at 25°C) but is more soluble in organic solvents such as ethanol and dichloromethane. The compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under normal storage conditions but should be kept away from strong oxidizers and reducing agents.
This compound can be synthesized via a multi-step process involving alkylation of a 3-phenoxyphenyl cyano derivative with a 2-(4-chlorophenyl)-3-methylbutanoate. The reaction typically requires a phase transfer catalyst and is carried out under mild conditions. The yield is generally around 80%, with good selectivity towards the (S) configuration.
This compound is primarily used in the pharmaceutical industry for its potential as an intermediate in the synthesis of active pharmaceutical ingredients. It may also find use in the polymer industry for its functional groups, which can participate in various polymerization reactions. Additionally, it can be used in the sensor and semiconductor industries due to its chemical reactivity and specific functional groups.
When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from sources of heat and ignition. In case of spill, it should be contained and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.

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

Telephone

0519-82836288

Fax

0519-82551693

Address

Wuxi City, North Bank Town outside West Gate, Jiangsu Province