Home Carboxes 113771-58-7
113771-58-7,MFCD20527542
Catalog No.:AA0009JR

113771-58-7 | Methyl chroman-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$84.00   $59.00
- +
5g
96%
in stock  
$195.00   $137.00
- +
25g
96%
in stock  
$809.00   $567.00
- +
100g
96%
in stock  
$2,804.00   $1,963.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0009JR
Chemical Name:
Methyl chroman-2-carboxylate
CAS Number:
113771-58-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD20527542
SMILES:
COC(=O)C1CCc2c(O1)cccc2
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-US2005/54630,2005,A1Locationinpatent:Page/Pagecolumn39

[2]Chu,Guo-Hua;Gu,Minghua;Cassel,JoelA.;Belanger,Serge;Graczyk,ThomasM.;Dehaven,RobertN.;Conway-James,Nathalie;Koblish,Mike;Little,PatrickJ.;DeHaven-Hudkins,DianeL.;Dolle,RolandE.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#23,p.5114-5119]

[1]Patent:WO2014/184275,2014,A1.Locationinpatent:Page/Pagecolumn143

[2]Patent:US2005/54630,2005,A1.Locationinpatent:Page/Pagecolumn39

[3]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.5114-5119

[4]JournaloftheAmericanChemicalSociety,2019,vol.141,p.14870-14877

[1]CurrentPatentAssignee:PFIZERINC-WO2007/123941,2007,A2Locationinpatent:Page/Pagecolumn59-62

[2]CurrentPatentAssignee:PFIZERINC-WO2007/123941,2007,A2Locationinpatent:Page/Pagecolumn70

[1]TetrahedronAsymmetry,2015,vol.26,p.912-917

[2]Patent:WO2007/123941,2007,A2.Locationinpatent:Page/Pagecolumn59-61

[1]CurrentPatentAssignee:PFIZERINC-WO2007/123941,2007,A2Locationinpatent:Page/Pagecolumn61-62

Literature
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SDS
Tags:113771-58-7 Molecular Formula|113771-58-7 MDL|113771-58-7 SMILES|113771-58-7 Methyl chroman-2-carboxylate