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2-Methyl-2-propanyl {(4R,6S)-6-[(E)-2-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate(CAS: 289042-12-2)

2-Methyl-2-propanyl {(4R,6S)-6-[(E)-2-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate
CAS Number

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Basic Information

Molecular Formula
C29H40FN3O6S
Molecular Weight
577.72 g/mol
EINECS
1806241-263-5
Physical State
White to Off-White

Physical Properties

Melting Point
153-155°C
Boiling Point
673.3±65.0 °C(Predicted)
Density
1.210
Flash Point
361.0±34.3 °C

Chemical Identifiers

SMILES
CC(C)C1=NC(=NC(=C1C=CC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C
InChIKey
WIFPCEOJTKZGSA-UQECUQMJSA-N

Database References

MDL Number
MFCD08458343

FAQ

This compound has a crystalline form at room temperature. The molecular weight is approximately 624.8 g/mol. It has limited water solubility and is more soluble in organic solvents. Reactivity is moderate, with potential for ring-opening reactions under certain conditions. It is not highly reactive but should be handled with care due to its chemical complexity.
Synthesis typically involves multi-step processes, including the formation of an acetal followed by a ring-opening reaction with a pyrimidine derivative. Specific catalysts such as Lewis acids can be used to improve selectivity. The overall yield is moderate, around 50-70%, and the reaction is carried out under anhydrous conditions to prevent unwanted side reactions.
This compound is primarily used in the pharmaceutical industry for the development of novel anti-cancer and anti-inflammatory drugs. It may also have applications in the polymer industry for developing advanced materials and in the sensor industry for the detection of specific analytes.
Handle this compound under a fume hood due to its potential for volatility and reactivity. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Spills should be cleaned up immediately according to the Material Safety Data Sheet (MSDS/SDS). It is important to consult the SDS for detailed safety information and follow all laboratory safety protocols.

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

Contact Person

Zhang Yu

Email

826129670@qq.com

Mobile

18274848843

Address

Shenzhen Nanshan District Xili Street No. 1002 Songbai Road Building 24, Room 503, Bai Wangxin Industrial Park