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32852-81-6,MFCD00016826
Catalog No.:AA0033P9

32852-81-6 | 3-Phenoxyphenylacetic acid

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250mg
95%
in stock  
$19.00   $14.00
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1g
95%
in stock  
$35.00   $25.00
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5g
95%
in stock  
$145.00   $102.00
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25g
95%
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$667.00   $467.00
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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:
AA0033P9
Chemical Name:
3-Phenoxyphenylacetic acid
CAS Number:
32852-81-6
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD00016826
SMILES:
OC(=O)Cc1cccc(c1)Oc1ccccc1
Properties
Properties
 
BP:
385.378 °C at 760 mmHg  
Form:
Solid  
MP:
88-91 °C(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
246  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Dhanoa;Bagley;Chang;Lotti;Chen;Kivlighn;Zingaro;Siegl;Chakravarty;Patchett;Greenlee[JournalofMedicinalChemistry,1993,vol.36,#23,p.3738-3742]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1688138,2006,A1Locationinpatent:Page/Pagecolumn103

[3]Windsor,MatthewA.;Hermanson,DanielJ.;Kingsley,PhilipJ.;Xu,Shu;Crews,BrendaC.;Ho,Winnie;Keenan,CatherineM.;Banerjee,Surajit;Sharkey,KeithA.;Marnett,LawrenceJ.[ACSMedicinalChemistryLetters,2012,vol.3,#9,p.759-763]

[1]ArchivderPharmazie,1983,vol.316,p.598-608

[1]Rao,B.Nageswara;Adapa,SrinivasR.;Pardhasaradhi,M.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1988,vol.27,#1-12,p.84-85]

[1]Zhou,Zhang-Lin;Navratil,JamesM.;Cai,SuiXiong;Whittemore,EdwardR.;Espitia,StephenA.;Hawkinson,JonE.;Tran,Minhtam;Woodward,RichardM.;Weber,Eckard;Keana,JohnF.W.[BioorganicandMedicinalChemistry,2001,vol.9,#8,p.2061-2071]

[2]Matthies;Buchling[ArchivderPharmazie,1983,vol.316,#7,p.598-608]

[3]Kulagowski;Baker;Curtis;Leeson;Mawer;Moseley;Ridgill;Rowley;Stansfield;Foster;Grimwood;Hill;Kemp;Marshall;Saywell;Tricklebank[JournalofMedicinalChemistry,1994,vol.37,#10,p.1402-1405]

[4]Zhou,Zhang-Lin;Weber,Eckard;Keana,JohnF.W.[TetrahedronLetters,1995,vol.36,#42,p.7583-7586]

[5]Kreimeyer,Annett;Laube,Bodo;Sturgess,Mike;Goeldner,Maurice;Foucaud,Bernard[JournalofMedicinalChemistry,1999,vol.42,#21,p.4394-4404]

[6]Kotsikorou,Evangelia;Song,Yongcheng;Chan,JulianM.W.;Faelens,Stephanie;Tovian,Zev;Broderick,Erin;Bakalara,Norbert;Docampo,Roberta;Oldfield,Eric[JournalofMedicinalChemistry,2005,vol.48,#19,p.6128-6139]

[7]Yang,Yinghong;Wang,Zhenling;Yang,Jianzhong;Yang,Tao;Pi,Weiyi;Ang,Wei;Lin,Yanni;Liu,Yuanyuan;Li,Zicheng;Luo,Youfu;Wei,Yuquan[BioorganicandMedicinalChemistryLetters,2012,vol.22,#2,p.954-957]

[8]Ren,Jie;Li,Yuhang;Ke,Hongwei;Li,Yanting;Yang,Longhe;Yu,Helin;Huang,Rui;Lu,Canzhong;Qiu,Yan[RSCAdvances,2017,vol.7,#21,p.12455-12463]

[9]Evans,LindsayE.;Krishna,Aishwarya;Ma,Yajing;Webb,ThomasE.;Marshall,DominicC.;Tooke,CatherineL.;Spencer,James;Clarke,ThomasB.;Armstrong,Alan;Edwards,AndrewM.[JournalofMedicinalChemistry,2019,vol.62,#9,p.4411-4425]

[1]EuropeanJournalofMedicinalChemistry,1974,vol.9,p.381-389

Literature

Title: Ethers of 3-hydroxyphenylacetic acid as selective gamma-hydroxybutyric acid receptor ligands.

Journal: Bioorganic & medicinal chemistry letters 20050701

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