Home Other Building Blocks 6158-54-9
6158-54-9,MFCD00197207
Catalog No.:AA003ACU

6158-54-9 | Benzoic acid, 4-benzoyl-, methyl ester

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100mg
95%
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$385.00   $270.00
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250mg
95%
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$581.00   $407.00
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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:
AA003ACU
Chemical Name:
Benzoic acid, 4-benzoyl-, methyl ester
CAS Number:
6158-54-9
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD00197207
SMILES:
COC(=O)c1ccc(cc1)C(=O)c1ccccc1
NSC Number:
409445
Properties
Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
3.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITYOFPARMA;UNIVERSITYOFURBINO;ISTITUTOITALIANODITECNOLOGIA;UNIVERSITYOFCALIFORNIA-WO2014/144836,2014,A2Locationinpatent:Paragraph0653;0654

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2020/198062,2020,A1Locationinpatent:Page/Pagecolumn353-354

[3]Lineros-Rosa,Mauricio;Miranda,MiguelA.;Lhiaubet-Vallet,Virginie[Chemistry-AEuropeanJournal,2020,vol.26,#32,p.7205-7211]

[4]CurrentPatentAssignee:WUXIAPPTECCO.,LTD.;BROADINSTITUTE-WO2016/19588,2016,A1Locationinpatent:Page/Pagecolumn90

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2008/167360,2008,A1Locationinpatent:Page/Pagecolumn22

[6]Bao,Hongli;Li,Yajun;Su,Min;Wan,Wen-Ming;Zhu,Nengbo[OrganicLetters,2020]

[7]Winnik,M.A.etal.[JournaloftheAmericanChemicalSociety,1976,vol.98,p.2928-2935]

[8]Maharaj,Utam;Winnik,MitchellA.[JournaloftheAmericanChemicalSociety,1981,vol.103,#9,p.2328-2333]

[9]Wagner,PeterJ.;Siebert,ElizabethJ.[JournaloftheAmericanChemicalSociety,1981,vol.103,#24,p.7329-7335]

[1]Fischer,Hanns;Baer,Roger;Hany,Roland;Verhoolen,Ingrid;Walbiner,Manfred[JournaloftheChemicalSociety.PerkintransactionsII,1990,#5,p.787-798]

[1]Hatanaka,Yasuo;Hiyama,Tamejiro[ChemistryLetters,1989,p.2049-2052]

[2]Hatanaka,Yasuo;Fukushima,Satoshi;Hiyama,Tamejiro[Tetrahedron,1992,vol.48,#11,p.2113-2126]

[1]Bumagin,N.A.;Bumagina,I.G.;Kashin,A.N.;Beletskaya,I.P.[DokladyChemistry,1981,vol.261,p.532-535][Dokl.Akad.NaukSSSRSer.Khim.,1981,vol.261,#5,p.1141-1144]

[1]Smonou[SyntheticCommunications,1994,vol.24,#14,p.1999-2002]

[2]Nishitani,Shinji;Bodor,Nicholas[RevueRoumainedeChimie,1991,vol.36,#4-7,p.635-646]

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6420415,2002,B1

[4]Gadhwal,Sunil;Baruah,Mukulesh;Sandhu,JagirS.[Synlett,1999,#10,p.1573-1574]

Literature
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SDS
Tags:6158-54-9 Molecular Formula|6158-54-9 MDL|6158-54-9 SMILES|6158-54-9 Benzoic acid, 4-benzoyl-, methyl ester