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122567-97-9,MFCD00871194
Catalog No.:AA0080J9

122567-97-9 | ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
97%
in stock  
$84.00   $59.00
- +
250mg
97%
in stock  
$165.00   $115.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0080J9
Chemical Name:
((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate
CAS Number:
122567-97-9
Molecular Formula:
C17H16N2O5
Molecular Weight:
328.3193
MDL Number:
MFCD00871194
SMILES:
O=C(c1ccccc1)OC[C@@H]1C=C[C@@H](O1)n1cc(C)c(=O)[nH]c1=O
Properties
Computed Properties
 
Complexity:
592  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
1.4  

Upstream Synthesis Route

[1]Patent:CN106496130,2017,A,.Locationinpatent:Page/Pagecolumn0043

[1]JournalofPharmaceuticalSciences,1994,vol.83,#3,p.339-343

[2]JournalofMedicinalChemistry,1990,vol.33,#1,p.258-263

[3]TheJournaloforganicchemistry,2002,vol.67,#11,p.3541-3547

[1]TetrahedronLetters,2005,vol.46,#3,p.469-473

[1]RussianChemicalBulletin,1997,vol.46,#7,p.1362-1363

[1]TetrahedronLetters,1995,vol.36,#44,p.7957-7960

[2]OrganicProcessResearchandDevelopment,1998,vol.2,#3,p.203-207

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1990,vol.33,p.258-263

[1]JournalofMedicinalChemistry,1990,vol.33,p.258-263

[2]JournalofPharmaceuticalSciences,1994,vol.83,p.339-343

[1]NucleosidesandNucleotides,1995,vol.14,p.1227-1232

[2]TetrahedronLetters,1995,vol.36,p.7957-7960

[3]TetrahedronLetters,1998,vol.39,p.729-732

[4]RussianChemicalBulletin,1997,vol.46,p.1362-1363

[5]ChemistryofNaturalCompounds,1993,vol.29,p.113-115    KhimiyaPrirodnykhSoedinenii,1993,p.133-136

[6]RussianJournalofOrganicChemistry,1996,vol.32,p.1784-1790

[7]Patent:CN106496130,2017,A.Locationinpatent:Paragraph0043;0044

[8]JournalofPharmaceuticalSciences,1993,vol.82,p.1232-1236

[9]OrganicProcessResearchandDevelopment,1998,vol.2,p.203-207

[1]JournalofPharmaceuticalSciences,1994,vol.83,p.339-343

[2]JournalofMedicinalChemistry,1990,vol.33,p.258-263

[3]JournalofOrganicChemistry,2002,vol.67,p.3541-3547

[1]Heterocycles,1991,vol.32,p.2451-2470

Literature
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SDS
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Tags:122567-97-9 Molecular Formula|122567-97-9 MDL|122567-97-9 SMILES|122567-97-9 ((2S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl)methyl benzoate