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25491-47-8,MFCD16502452
Catalog No.:AA00BJRQ

25491-47-8 | Ethyl 2-benzoyl-3-methylbutanoate

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250mg
95%
in stock  
$312.00   $219.00
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1g
95%
in stock  
$706.00   $494.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BJRQ
Chemical Name:
Ethyl 2-benzoyl-3-methylbutanoate
CAS Number:
25491-47-8
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD16502452
SMILES:
CCOC(=O)C(C(=O)c1ccccc1)C(C)C
NSC Number:
78918
Properties
Computed Properties
 
Complexity:
265  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Gehling,VictorS.;Bellon,StevenF.;Harmange,Jean-Christophe;LeBlanc,Yves;Poy,Florence;Odate,Shobu;Buker,Shane;Lan,Fei;Arora,Shilpi;Williamson,KaylynE.;Sandy,Peter;Cummings,RichardT.;Bailey,ChristopherM.;Bergeron,Louise;Mao,Weifeng;Gustafson,Amy;Liu,Yichin;VanderPorten,Erica;Audia,JamesE.;Trojer,Patrick;Albrecht,BrianK.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#17,p.4350-4354]

[2]Swamer;Hauser[JournaloftheAmericanChemicalSociety,1950,vol.72,p.1352,1353,1356]

[3]Bai,Feifei;Fang,Jianguo;Song,Zi-Long;Zhang,Baoxin[JournalofAgriculturalandFoodChemistry,2020,vol.68,#7,p.2214-2231]

[1]Perkin;Calman[JournaloftheChemicalSociety,1886,vol.49,p.166]

[1]Abrams;Kipping[JournaloftheChemicalSociety,1936,p.1480]

[1]Abrams;Kipping[JournaloftheChemicalSociety,1936,p.1480]

[2]Perkin;Calman[JournaloftheChemicalSociety,1886,vol.49,p.166]

[1]Reddy,ChagantiP.;Tanimoto,Shigeo[JournaloftheChemicalSociety.PerkintransactionsI,1988,p.411-414]

Literature
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SDS
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