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60241-74-9,MFCD00092587
Catalog No.:AA003FD3

60241-74-9 | 2,3,6-Trimethoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
≥98.0%(GC)
in stock  
$81.00   $57.00
- +
1g
≥98.0%(GC)
in stock  
$129.00   $90.00
- +
5g
≥98.0%(GC)
in stock  
$415.00   $290.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003FD3
Chemical Name:
2,3,6-Trimethoxybenzoic acid
CAS Number:
60241-74-9
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
MDL Number:
MFCD00092587
SMILES:
COc1ccc(c(c1C(=O)O)OC)OC
Properties
Properties
 
Form:
Solid  
MP:
150 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Gilman;Thirtle[JournaloftheAmericanChemicalSociety,1944,vol.66,p.858]

64-17-5    60241-74-9   
ethyl2,3,6-trimethoxybenzoate 

[1]Gilman;Thirtle[JournaloftheAmericanChemicalSociety,1944,vol.66,p.858]

135-77-3   
methylammoniumcarbonate 
  60241-74-9 

[1]Gilman;Thirtle[JournaloftheAmericanChemicalSociety,1944,vol.66,p.858]

[1]Ding,Yong;Wang,Min;Li,Jine;Li,Pengwei;Guo,Zhenyan;Chen,Yihua[BiochemicalandBiophysicalResearchCommunications,2021,vol.543,p.8-14]

[2]Kreuchunas;Mosher[JournalofOrganicChemistry,1956,vol.21,p.589]

[1]Philbinetal.[JournaloftheChemicalSociety,1956,p.4455,4457]

[2]Hoegberg,Thomas;Bengtsson,Stefan;Paulis,Tomasde;Johansson,Lars;Stroem,Peter;etal.[JournalofMedicinalChemistry,1990,vol.33,#4,p.1155-1163]

[3]Mahfouz;Hambloch;Omar;Frahm[ArchivderPharmazie,1990,vol.323,#3,p.163-169]

[4]Locationinpatent:experimentalpartCaldwell,StuartT.;McPhail,DonaldB.;Duthie,GarryG.;Hartley,RichardC.[CanadianJournalofChemistry,2012,vol.90,#1,p.23-33]

Literature

Title: Smooth muscle relaxant action of benzyl benzoates and salicylic acid derivatives from Brickellia veronicaefolia on isolated guinea-pig ileum.

Journal: Planta medica 20050401

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SDS
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Tags:60241-74-9 Molecular Formula|60241-74-9 MDL|60241-74-9 SMILES|60241-74-9 2,3,6-Trimethoxybenzoic acid |Organic_Building_Blocks