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20462-00-4,MFCD00006657
Catalog No.:AA0029J2

20462-00-4 | 1,3-Dithiane-2-carboxylic acid, ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)
in stock  
$96.00   $68.00
- +
5g
>98.0%(GC)
in stock  
$264.00   $185.00
- +
25g
>98.0%(GC)
in stock  
$1,124.00   $787.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0029J2
Chemical Name:
1,3-Dithiane-2-carboxylic acid, ethyl ester
CAS Number:
20462-00-4
Molecular Formula:
C7H12O2S2
Molecular Weight:
192.2990
MDL Number:
MFCD00006657
SMILES:
CCOC(=O)C1SCCCS1
Properties
Properties
 
Form:
Liquid  
MP:
19-21 °C  
Storage:
Room Temperature;Light sensitive;Keep in dry area;  

Computed Properties
 
Complexity:
132  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Downstream Synthesis Route
20462-00-4    1647-23-0   
2-(3,3-Dimethyl-butyl)-1,3dithiane-2-carboxylicacidethylester 

[1]JournalofMedicinalChemistry,1987,vol.30,p.1074-1090

[1]Patent:WO2005/99705,2005,A2.Locationinpatent:Page/Pagecolumn48

[2]BioorganicandMedicinalChemistryLetters,1996,vol.6,p.1673-1676

[3]Patent:WO2019/148005,2019,A1.Locationinpatent:Paragraph2010

[4]Patent:WO2008/82725,2008,A1.Locationinpatent:Page/Pagecolumn86-87

[5]TetrahedronLetters,1989,vol.30,p.5477-5480

[6]CanadianJournalofChemistry,1983,vol.61,p.509-518

20462-00-4    16427-44-4   
2-(2-Methoxy-ethyl)-1,3dithiane-2-carboxylicacidethylester 

[1]Tetrahedron,1995,vol.51,p.4867-4890

[1]JournalofOrganicChemistry,1996,vol.61,p.3987-3995

[1]Rivera,NancyGonzález;Becerril,DavidCorona;Guadarrama-Pérez,Carlos;Covarrubias-Zuñiga,Adrian;Avila-Zárraga,JoséGustavo;Romero-Ortega,Moisés[TetrahedronLetters,2007,vol.48,#7,p.1201-1204]

Literature
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SDS
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Tags:20462-00-4 Molecular Formula|20462-00-4 MDL|20462-00-4 SMILES|20462-00-4 1,3-Dithiane-2-carboxylic acid, ethyl ester