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1-(2,5-Anhydro-4-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-alpha-L-lyxofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione(CAS: 206055-75-6)

1-(2,5-Anhydro-4-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-alpha-L-lyxofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CAS Number

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Basic Information

Molecular Formula
C41H49N4O9P
Molecular Weight
761.85 g/mol

Chemical Identifiers

SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N
InChIKey
STPXOEPMLLHUDQ-ZRCIEBSPSA-N

Database References

MDL Number
MFCD28386031

FAQ

The compound is a crystalline solid with a molecular weight of approximately 1100 g/mol. It has low solubility in water but is soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Chemically, it is highly reactive, particularly towards nucleophiles due to the presence of phosphorus and methoxy groups.
The compound is synthesized using a multistep process involving Michael addition, phosphoramidate formation, and pyrimidine ring closure. Common catalysts include triphenylphosphine and pyridine. The overall yield is around 70%, with good regioselectivity due to steric effects.
This compound is used in the pharmaceutical industry for its potential as a drug candidate. It is also of interest in the semiconductor industry for its application in organic light-emitting diodes (OLEDs) due to its unique electronic properties.
Handle in a well-ventilated area with the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store under nitrogen to prevent oxidation. In case of spill, use appropriate absorbents and consult the safety data sheet (SDS) for further instructions. It is highly reactive and should be handled with care to avoid fires or explosions.

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

Chen Jingjing

Email

sale06@hjgc-automation.com