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27019-47-2,MFCD00039061
Catalog No.:AA003VDF

27019-47-2 | Beta-alanine benzyl ester p-toluenesulfonate salt

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(HPLC)
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$29.00   $20.00
- +
25g
95%
in stock  
$52.00   $37.00
- +
100g
95%
in stock  
$153.00   $107.00
- +
500g
98%
in stock  
$432.00   $302.00
- +
  • 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:
AA003VDF
Chemical Name:
Beta-alanine benzyl ester p-toluenesulfonate salt
CAS Number:
27019-47-2
Molecular Formula:
C17H21NO5S
Molecular Weight:
351.4173
MDL Number:
MFCD00039061
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.NCCC(=O)OCc1ccccc1
Properties
Properties
 
BP:
547.2°C at 760 mmHg  
Form:
Solid  
MP:
138-139 °C  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
359  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety.PerkinTransactions2,1999,#11,p.2569-2577

[2]RSCAdvances,2015,vol.5,#81,p.66339-66354

[3]BioorganicandMedicinalChemistryLetters,2008,vol.18,#20,p.5512-5517

[4]EuropeanJournalofOrganicChemistry,2011,#8,p.1429-1431

[5]JournalofAgriculturalandFoodChemistry,2005,vol.53,#20,p.7899-7907

[6]JournalofMedicinalChemistry,2007,vol.50,#13,p.3054-3061

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1977,vol.20,p.510-515

[1]JournaloftheChemicalSociety.PerkintransactionsI,1968,vol.6,p.726-733

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5512-5517

[2]BulletinoftheChemicalSocietyofJapan,1986,vol.59,p.3553-3558

[1]JournalofMedicinalChemistry,1992,vol.35,p.4393-4407

[1]BioorganicandMedicinalChemistry,2011,vol.19,p.5935-5947

[2]JournalofMedicinalChemistry,1994,vol.37,p.498-511

Literature
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SDS
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