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42288-08-4,MFCD03844683
Catalog No.:AA00BZJL

42288-08-4 | 3-Methyl-3-(4-methylphenyl)butanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$128.00   $90.00
- +
250mg
95%
in stock  
$170.00   $119.00
- +
1g
95%
in stock  
$411.00   $288.00
- +
5g
95%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BZJL
Chemical Name:
3-Methyl-3-(4-methylphenyl)butanoic acid
CAS Number:
42288-08-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD03844683
SMILES:
OC(=O)CC(c1ccc(cc1)C)(C)C
Properties
Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Yu,Xiao-Ye;Wang,Peng-Zi;Yan,Dong-Mei;Lu,Bin;Chen,Jia-Rong;Xiao,Wen-Jing[AdvancedSynthesisandCatalysis,2018,vol.360,#18,p.3601-3606]

[2]Brouwers[LouvainMedical,1974,vol.93,#4,p.189-194]

[3]Buechietal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.2622,2624]Ferrero;Helg[HelveticaChimicaActa,1959,vol.42,p.2111,2117]

[4]Hukki[ActaChemicaScandinavica(1947),1939,vol.3,p.279,294]

[5]Brouwers[LouvainMedical,1974,vol.93,#4,p.189-194]

[6]Bott,Garry;Field,LeslieD.;Sternhell,Sever[JournaloftheAmericanChemicalSociety,1980,vol.102,#17,p.5618-5626]

[7]Vogt;Molino;Robichaud[SyntheticCommunications,2001,vol.31,#5,p.679-684]

[1]Ferrero;Helg[HelveticaChimicaActa,1959,vol.42,p.2111,2117]

[2]Bott,Garry;Field,LeslieD.;Sternhell,Sever[JournaloftheAmericanChemicalSociety,1980,vol.102,#17,p.5618-5626]

[1]Hukki[ActaChemicaScandinavica(1947),1949,vol.3,p.279,294]

[2]Colonge;Pichat[BulletindelaSocieteChimiquedeFrance,1949,p.177,183]

[3]Vogt;Molino;Robichaud[SyntheticCommunications,2001,vol.31,#5,p.679-684]

[1]Hukki[ActaChemicaScandinavica(1947),1949,vol.3,p.279,294]

[1]Colonge;Pichat[BulletindelaSocieteChimiquedeFrance,1949,p.177,183]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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