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5548-09-4,MFCD00022778
Catalog No.:AA00DK0Y

5548-09-4 | Methyl 3-(1h-indol-3-yl)propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$8.00   $6.00
- +
250mg
95%
in stock  
$11.00   $8.00
- +
1g
95%
in stock  
$28.00   $20.00
- +
5g
95%
in stock  
$35.00   $25.00
- +
100g
96%
in stock  
$610.00   $427.00
- +
  • 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:
AA00DK0Y
Chemical Name:
Methyl 3-(1h-indol-3-yl)propanoate
CAS Number:
5548-09-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD00022778
SMILES:
COC(=O)CCc1c[nH]c2c1cccc2
NSC Number:
56004
Properties
Computed Properties
 
Complexity:
230  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.1  

Upstream Synthesis Route

[1]CollectionofCzechoslovakChemicalCommunications,2002,vol.67,#11,p.1669-1680

[1]TetrahedronLetters,2009,vol.50,#50,p.7035-7037

[2]BioorganicandMedicinalChemistry,2006,vol.14,#14,p.4958-4979

[3]Patent:WO2010/132615,2010,A1,.Locationinpatent:Page/Pagecolumn100-101

[4]BioorganicandMedicinalChemistryLetters,2009,vol.19,#24,p.6926-6930

[5]Patent:WO2011/56630,2011,A2,.Locationinpatent:Page/Pagecolumn64-65

[6]CollectionofCzechoslovakChemicalCommunications,2002,vol.67,#11,p.1669-1680

[7]OrganicLetters,2015,vol.17,#11,p.2652-2655

[8]Patent:EP3299371,2018,A1,.Locationinpatent:Paragraph0314;0315

[9]Farmaco,2001,vol.56,#11,p.835-840

[10]TetrahedronAsymmetry,2006,vol.17,#4,p.521-535

[11]Patent:US2009/247573,2009,A1,.Locationinpatent:Page/Pagecolumn26-27

[12]Patent:US6352988,2002,B2,.Locationinpatent:Pagecolumn33-34

[13]Chemistry-AEuropeanJournal,2014,vol.20,#24,p.7492-7500

[14]Patent:WO2015/31608,2015,A1,.Locationinpatent:Paragraph00351

[15]JournalofChemicalResearch,2015,vol.39,#5,p.296-299

[1]Patent:EP1124810,2005,B1,.Locationinpatent:Page/Pagecolumn12

[2]Patent:US5464861,1995,A,

[1]JournalofMedicinalChemistry,2007,vol.50,#8,p.1939-1957

[2]Patent:US5877199,1999,A,

[3]Patent:WO2008/72784,2008,A1,.Locationinpatent:Page/Pagecolumn109

[1]JournalofHeterocyclicChemistry,2011,vol.48,#4,p.977-986

[2]JournaloftheIranianChemicalSociety,2012,vol.9,#5,p.655-660

[3]ChineseJournalofChemistry,2010,vol.28,#12,p.2399-2403

[4]TetrahedronLetters,1988,vol.29,#21,p.2577-2580

[5]TetrahedronLetters,2003,vol.44,#27,p.5115-5119

Downstream Synthesis Route

[1]TetrahedronAsymmetry,2006,vol.17,p.521-535

[1]Patent:US2005/288354,2005,A1

[1]JournalofMedicinalChemistry,2007,vol.50,p.1939-1957

[2]Patent:US5877199,1999,A

[3]Patent:WO2008/72784,2008,A1.Locationinpatent:Page/Pagecolumn109

[1]JournalofChemicalResearch,2015,vol.39,p.296-299

[2]JournalofMedicinalChemistry,2007,vol.50,p.1939-1957

1196-57-2    5548-09-4   
methyl3-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-indol-3-ylpropanoate 

[1]ChemicalandPharmaceuticalBulletin,2007,vol.55,p.922-925

Literature

Title: Methyl 3-(1H-indol-3-yl)propano-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20110801

Title: Isosteric probes provide structural requirements essential for detoxification of the phytoalexin brassinin by the fungal pathogen Leptosphaeria maculans.

Journal: Bioorganic & medicinal chemistry 20070915

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SDS
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