4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone | CAS No. 146954-77-0

4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone

Basic Information

CAS Number

146954-77-0

Molecular Formula

C37H34FN3O7

Molecular Weight

651.68 g/mol

AD

Basic Physical Properties

COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)F)n1ccc(nc1=O)NC(=O)c1ccccc1

InChI

InChI=1S/C37H34FN3O7/c1-45-28-17-13-26(14-18-28)37(25-11-7-4-8-12-25,27-15-19-29(46-2)20-16-27)47-23-30-33(42)32(38)35(48-30)41-22-21-31(40-36(41)44)39-34(43)24-9-5-3-6-10-24/h3-22,30,32-33,35,42H,23H2,1-2H3,(H,39,40,43,44)/t30-,32-,33-,35-/m1/s1

InChIKey

RAIBEZUVTIPFOJ-NHASGABXSA-N

LogP

5.117900000000004

Topological Polar Surface Area

121.13999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

1120

Synonyms & References

English

  • 5'-O-(4,4'-二甲氧基三苯甲基)-N4-苯甲酰-2'-氟-2'-脱氧胞苷
  • N-benzoyl-5'-O-[bis(4-Methoxyphenyl)phenylMethyl]-2'-deoxy-2'-fluoro- Cytidine
  • Cytidine, N-benzoyl-5'-O-[bis(4-Methoxyphenyl)phenylMethyl]-2'-deoxy-2'-fluoro-
  • 5'-O-DMT-N4-Bz-2'-F-dC
  • 5'-O-DMT-N4-BENZOYL-2'-FLUORO-2'-DEOXYCYTIDINE
  • N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
  • N-{1-{5-O-[bis-(4-methoxyphenyl)phenylmethyl]-2-deoxy-2-fluoro-D-arabinofuranosyl}-1,2-dihydro-2-oxo-4-pyrimidinyl}-benzamide
  • N4-Benzoyl-2'-deoxy-5'-O-DMT-2'-fluorocytidine
  • Cytidine, N-benzoyl-5/'-O-[bis(4-Methoxyphenyl)phenylMe

FAQ

What are the physical and chemical properties of 4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone (CAS: 146954-77-0)?

4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone is a crystalline compound with a molecular weight of approximately 1035.4 g/mol. It has low solubility in water but is soluble in organic solvents such as DMSO and acetonitrile. The compound is relatively stable under normal conditions but reacts with strong bases to form the corresponding amine. It exhibits good reactivity towards nucleophilic substitution and is an important intermediate in the synthesis of bioactive compounds.

How is 4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone (CAS: 146954-77-0) typically synthesized?

The compound is synthesized through a multi-step process involving the protection of the sugar moiety, followed by the introduction of the benzoyl group, and the subsequent installation of the fluoro substituent. The reaction typically requires the use of protecting groups such as acetals and is catalyzed by conditions that ensure high selectivity. The overall yield of the compound can range from 30% to 70%, depending on the specific reaction conditions.

What industries use 4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone (CAS: 146954-77-0)?

This compound is primarily used in the pharmaceutical industry as a key intermediate in the synthesis of drugs with anti-inflammatory and antiviral properties. It is also used in the polymer industry for the development of advanced materials with specific functional groups. Additionally, it has potential applications in the semiconductor industry for the fabrication of novel electronic materials.

What precautions should be taken when handling 4-(Benzoylamino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2-deoxy-2-fluoro-beta-D-xylofuranosyl}-2(1H)-pyrimidinone (CAS: 146954-77-0)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated fume hood to minimize exposure to the compound. In the event of a spill, immediately clean up the area using appropriate absorbent materials and follow local safety protocols. Always consult the Safety Data Sheet (SDS) for detailed instructions on handling and disposal.

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