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

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$312.00   $219.00
- +
1g
95%
in stock  
$706.00   $494.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
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  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
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
Quotation Request
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SDS
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Tags:25491-47-8 Molecular Formula|25491-47-8 MDL|25491-47-8 SMILES|25491-47-8 Ethyl 2-benzoyl-3-methylbutanoate
Catalog No.: AA00BJRQ
25491-47-8,MFCD16502452
25491-47-8 | Ethyl 2-benzoyl-3-methylbutanoate
Pack Size： 250mg
Purity： 95%
in stock
$312.00 $219.00
Pack Size： 1g
Purity： 95%
in stock
$706.00 $494.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
Complexity: 265  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
108-64-5    93-89-0    25491-47-8 

[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]

25491-47-8    582-62-7 

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

25491-47-8    29540-59-8 

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

75-30-9    94-02-0    25491-47-8 

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

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

613-90-1    63547-55-7    25491-47-8 

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

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