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5661-47-2,MFCD19347566
Catalog No.:AA01C91Q

5661-47-2 | 2-(2H-1,3-BENZODIOXOL-5-YL)ACETAMIDE

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100mg
95%
1 week  
$35.00   $25.00
- +
250mg
95%
1 week  
$60.00   $42.00
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1g
95%
1 week  
$157.00   $110.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01C91Q
Chemical Name:
2-(2H-1,3-BENZODIOXOL-5-YL)ACETAMIDE
CAS Number:
5661-47-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD19347566
SMILES:
NC(=O)Cc1ccc2c(c1)OCO2
Properties
Computed Properties
 
Complexity:
207  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.7  

Downstream Synthesis Route

[1]Mastaglietal.[BulletindelaSocieteChimiquedeFrance,<1948>662,665]

[1]CurrentPatentAssignee:STEINDCHIMBALE;NOVARTISAG;Novartis(w/oSandoz)-DE687196,1938,C[DRP/DRBPOrg.Chem.][DRP/DRBPOrg.Chem.]

homopiperonylicacidethylester 
  5661-47-2 

[1]Tiemann[ChemischeBerichte,1891,vol.24,p.2881]

[1]Kamochi,Yasuko;Watanabe,Yasuo[Heterocycles,1987,vol.26,#9,p.2385-2391]

[1]Engler,ThomasA.;Malhotra,Sushant;Burkholder,TimothyP.;Henry,JamesR.;Mendel,David;Porter,WarrenJ.;Furness,Kelly;Diefenbacher,Clive;Marquart,Angela;Reel,JonK.;Li,Yihong;Clayton,Joshua;Cunningham,Brian;McLean,Johnathan;O'Toole,JohnC.;Brozinick,Joseph;Hawkins,Eric;Misener,Elizabeth;Briere,Daniel;Brier,RichardA.;Wagner,JillR.;Campbell,RobertM.;Anderson,BryanD.;Vaughn,Renee;Bennett,DonaldB.;Meier,TimothyI.;Cook,JamesA.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#4,p.899-903]

Literature
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SDS
Tags:5661-47-2 Molecular Formula|5661-47-2 MDL|5661-47-2 SMILES|5661-47-2 2-(2H-1,3-BENZODIOXOL-5-YL)ACETAMIDE