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36978-49-1,MFCD00156903
Catalog No.:AA00C0IY

36978-49-1 | 5-(4-Chlorophenyl)-5-oxopentanoic acid

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250mg
97%
in stock  
$61.00   $43.00
- +
1g
97%
in stock  
$128.00   $89.00
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5g
97%
in stock  
$401.00   $281.00
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25g
95%
in stock  
$1,765.00   $1,235.00
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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:
AA00C0IY
Chemical Name:
5-(4-Chlorophenyl)-5-oxopentanoic acid
CAS Number:
36978-49-1
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
MDL Number:
MFCD00156903
SMILES:
O=C(c1ccc(cc1)Cl)CCCC(=O)O
Properties
Computed Properties
 
Complexity:
232  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.4  

Downstream Synthesis Route
36978-49-1    541-41-3   
C14H15ClO5 

[1]Kozikowski,A.P.;Ma,D.;Brewer,James;Sun,S.;Costa,E.;etal.[JournalofMedicinalChemistry,1993,vol.36,#20,p.2908-2920]

[1]CurrentPatentAssignee:ALPHAPHARMACEUTICALJIANGSU-CN112778117,2021,ALocationinpatent:Paragraph0053-0058

[2]Fekri,LeilaZare;Nikpassand,Mohammad[RussianJournalofGeneralChemistry,2014,vol.84,#9,p.1825-1829][ZhurnalObshcheiKhimii,2014,vol.84,#9,p.1825-1829,5]

[3]Hua,Yun-Yu;Bin,Huai-Yu;Wei,Tao;Cheng,Hou-An;Lin,Zu-Peng;Fu,Xing-Feng;Li,Yuan-Qiang;Xie,Jian-Hua;Yan,Pu-Cha;Zhou,Qi-Lin[OrganicLetters,2020,vol.22,#3,p.818-822]

[4]Locationinpatent:experimentalpartMokale,SantoshN.;Shinde,SandeepS.;Elgire,RupaliD.;Sangshetti,JaiprakashN.;Shinde,DevanandB.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#15,p.4424-4426]

[5]Cignarella,G.;Barlocco,D.;Pocar,D.;Clerici,F.;Curzu,M.M.;etal.[EuropeanJournalofMedicinalChemistry,1995,vol.30,#9,p.721-726]

[6]Shaw,Duncan;Chicchi,GaryG.;Elliott,JasonM.;Kurtz,Marc.;Morrison,Denise;Ridgill,MarkP.;Szeto,Nicola;Watt,AlanP.;Williams,AngelaR.;Swain,ChristopherJ.[BioorganicandMedicinalChemistryLetters,2001,vol.11,#23,p.3031-3034]

[7]Hou,Rei-Sheu;Wang,Huey-Min;Lin,Yu-Chien;Chen,Ling-Chieg[Heterocycles,2005,vol.65,#3,p.649-656]

[8]CurrentPatentAssignee:MERCK&COINC-US2007/203183,2007,A1Locationinpatent:Page/Pagecolumn75-76

[9]Yang,Xiao-Hui;Xie,Jian-Hua;Liu,Wei-Peng;Zhou,Qi-Lin[AngewandteChemie-InternationalEdition,2013,vol.52,#30,p.7833-7836][Angew.Chem.,2013,vol.125,#30,p.7987-7990,4]

[10]Estopiñá-Durán,Susana;Donnelly,LiamJ.;Mclean,EuanB.;Hockin,BryonyM.;Slawin,AlexandraM.Z.;Taylor,JamesE.[Chemistry-AEuropeanJournal,2019,vol.25,#15,p.3950-3956]

[11]Duhamel,Thomas;Muñiz,Kilian[ChemicalCommunications,2019,vol.55,#7,p.933-936]

[12]Betori,RickC.;May,CatherineM.;Scheidt,KarlA.[AngewandteChemie-InternationalEdition,2019,vol.58,#46,p.16490-16494][Angew.Chem.,2019,vol.131,p.16642-16646,5]

36978-49-1   
5-(4-chlorobenzoyl)dihydro-2(3H)-furanone 

[1]Hou,Rei-Sheu;Wang,Huey-Min;Lin,Yu-Chien;Chen,Ling-Ching[JournaloftheChineseChemicalSociety,2005,vol.52,#5,p.1029-1032]

[2]Hou,Rei-Sheu;Wang,Huey-Min;Lin,Yu-Chien;Chen,Ling-Chieg[Heterocycles,2005,vol.65,#3,p.649-656]

[3]Huang,Xian;Zhu,Qing;Zhang,Jizheng[JournalofChemicalResearch-PartS,2001,#11,p.480-481]

[4]Tada,Norihiro;Cui,Lei;Ishigami,Takafumi;Ban,Kazunori;Miura,Tsuyoshi;Uno,Bunji;Itoh,Akichika[GreenChemistry,2012,vol.14,#11,p.3007-3009,3]

[5]Zhang,Sheng;Lian,Fei;Xue,Mengyu;Qin,Tengteng;Li,Lijun;Zhang,Xu;Xu,Kun[OrganicLetters,2017,vol.19,#24,p.6622-6625]

[6]Tada,Norihiro;Ishigami,Takafumi;Cui,Lei;Ban,Kazunori;Miura,Tsuyoshi;Itoh,Akichika[TetrahedronLetters,2013,vol.54,#3,p.256-258]

[7]Cignarella,G.;Barlocco,D.;Pocar,D.;Clerici,F.;Curzu,M.M.;etal.[EuropeanJournalofMedicinalChemistry,1995,vol.30,#9,p.721-726]

108-55-4    873-77-8    36978-49-1   
5,5-Bis(4-chlorophenyl)-5-hydroxypentanoicacid 

[1]Abad,Antonio;Manclus,JuanJ.;Mojarrad,Fatemeh;Mercader,JosepV.;Miranda,MiguelA.;Primo,Jaime;Guardiola,Vicente;Montoya,Angel[JournalofAgriculturalandFoodChemistry,1997,vol.45,#9,p.3694-3702]

36978-49-1    156-57-0   
8a-(4-Chloro-phenyl)-hexahydro-thiazolo3,2-apyridin-5-one 

[1]Aicher,ThomasD.;Balkan,Bork;Bell,PhilipA.;Brand,LeonardJ.;Cheon;Deems,RhondaO.;Fell,JayB.;Fillers,WilliamS.;Fraser,JamesD.;Gao,Jiaping;Knorr,DouglasC.;Kahle,GeraldG.;Leone,ChristinaL.;Nadelson,Jeffrey;Simpson,Ronald;Smith,HowardC.[JournalofMedicinalChemistry,1998,vol.41,#23,p.4556-4566]

Literature
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Tags:36978-49-1 Molecular Formula|36978-49-1 MDL|36978-49-1 SMILES|36978-49-1 5-(4-Chlorophenyl)-5-oxopentanoic acid