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65322-85-2,MFCD08275589
Catalog No.:AA0033DR

65322-85-2 | 3-(4-Isobutylphenyl)propanoic acid

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1g
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$47.00   $33.00
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5g
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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:
AA0033DR
Chemical Name:
3-(4-Isobutylphenyl)propanoic acid
CAS Number:
65322-85-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD08275589
SMILES:
CC(Cc1ccc(cc1)CCC(=O)O)C
Properties
Properties
 
BP:
327.445 °C at 760 mmHg  
Form:
Solid  
MP:
63 - 66°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Lee,Jong-Tae;Alper,Howard[TetrahedronLetters,1991,vol.32,#15,p.1769-1770]

[1]Summers,JamesB.;Gunn,BruceP.;Mazdiyasni,Hormoz;Goetze,AndrewM.;Young,PatrickR.;etal.[JournalofMedicinalChemistry,1987,vol.30,#11,p.2121-2126]

[1]Kuchar,Miroslav;Brunova,Bohumila;Rejholec,Vaclav;Roubal,Zdenek;Nemecek,Oldrich[CollectionofCzechoslovakChemicalCommunications,1981,vol.46,#5,p.1173-1187]

[1]Summers,JamesB.;Gunn,BruceP.;Mazdiyasni,Hormoz;Goetze,AndrewM.;Young,PatrickR.;etal.[JournalofMedicinalChemistry,1987,vol.30,#11,p.2121-2126]

[1]Jayasree;Seayad;Chaudhari[ChemicalCommunications,1999,#12,p.1067-1068]

[2]Jiang,Biao;Huang,Zuo-Gang;Cheng,Ke-Jun[Heterocycles,2004,vol.63,#12,p.2797-2803]

[3]Jayasree;Seayad;Chaudhari[ChemicalCommunications,2000,#14,p.1239-1240]

[4]Sarkar,BibhasR.;Chaudhari,RaghunathV.[CatalysisToday,2012,vol.198,#1,p.154-173]

[5]Huang,Zijun;Cheng,Yazhe;Chen,Xipeng;Wang,Hui-Fang;Du,Chen-Xia;Li,Yuehui[ChemicalCommunications,2018,vol.54,#32,p.3967-3970]

Literature

Title: An innovative approach to the analysis of 3-[4-(2-methylpropyl)phenyl]propanoic acid as an impurity of ibuprofen on a carbon-coated zirconia stationary phase.

Journal: Journal of pharmaceutical and biomedical analysis 20090712

Title: Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7.

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SDS
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