4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one | CAS No. 1034301-08-0

4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

Basic Information

CAS Number

1034301-08-0

Molecular Formula

C22H18Cl2N4O6

Molecular Weight

505.31 g/mol

AD

Basic Physical Properties

O=C1N([C@H]2C[C@@H]([C@@H](COC(C3=CC=C(Cl)C=C3)=O)O2)OC(C4=CC=C(Cl)C=C4)=O)C=NC(N)=N1

InChI

InChI=1S/C22H18Cl2N4O6/c23-14-5-1-12(2-6-14)19(29)32-10-17-16(34-20(30)13-3-7-15(24)8-4-13)9-18(33-17)28-11-26-21(25)27-22(28)31/h1-8,11,16-18H,9-10H2,(H2,25,27,31)/t16-,17+,18+/m0/s1

InChIKey

TWEZWUPSUOJPMB-RCCFBDPRSA-N

LogP

2.8973999999999993

Topological Polar Surface Area

135.63 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Synonyms & References

English

  • 1,3,5-Triazin-2(1H)-one,4-amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-b-D-erythro-pentofuranosyl]-
  • 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine
  • [(2R,3S,5S)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
  • 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine
  • 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one
  • 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
  • (2R,3S,5R)-5-(4-Amino-2-oxo-1,3,5-triazin-1(2H)-yl)-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate
  • 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one

MDL Number

MFCD22124452

FAQ

What are the physical and chemical properties of 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one (CAS: 1034301-08-0)?

4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one is a crystalline compound with a molecular weight of approximately 1124.51 g/mol. It exhibits low water solubility and is moderately reactive towards nucleophiles. This compound is stable under neutral and slightly acidic conditions but can degrade under basic conditions. It is also prone to hydrolysis under certain conditions.

How is 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one (CAS: 1034301-08-0) typically synthesized?

4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one is synthesized through a multi-step process involving the condensation of a triazine with a protected amino sugar. The synthesis typically requires the use of catalysts such as iodine and pyridine, and the use of appropriate solvents. The overall yield and selectivity depend on the purity of the starting materials and the reaction conditions.

What industries use 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one (CAS: 1034301-08-0)?

4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one finds applications in the pharmaceutical industry as an intermediate for the synthesis of novel drugs. It is also used in the development of new sensors and in organic synthesis for the construction of complex molecules. Additionally, it may have potential uses in the semiconductor industry as an additive in certain processes.

What precautions should be taken when handling 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one (CAS: 1034301-08-0)?

When handling 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.

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