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85-55-2,MFCD00020287
Catalog No.:AA00G26B

85-55-2 | 2-(4-Methylbenzoyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%(HPLC)
in stock  
$24.00   $17.00
- +
25g
>98.0%(T)
in stock  
$27.00   $19.00
- +
500g
>98.0%(T)
in stock  
$288.00   $202.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00G26B
Chemical Name:
2-(4-Methylbenzoyl)benzoic acid
CAS Number:
85-55-2
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD00020287
SMILES:
Cc1ccc(cc1)C(=O)c1ccccc1C(=O)O
NSC Number:
11224
Properties
Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Patent:CN111087323,2020,A.Locationinpatent:Paragraph0059;0066-0068;0078;0085-0087

[2]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.729-732

[3]Patent:CN104788333,2017,B.Locationinpatent:Paragraph0088-0091

[4]GrundlegendeOperationenderFarbenchemie,5.Aufl.<Wien1943>,S.216,

[5]OrganicSyntheses4<NewYork1925>,S.43,

[6]JustusLiebigsAnnalenderChemie,1886,vol.234,p.238

[7]Patent:CN106083550,2016,A

[8]ChemicalBiologyandDrugDesign,2018,vol.91,p.893-901

[9]Patent:US2174118,1936,

85-55-2    105786-39-8   
6a-p-tolyl-1,4-methano-1r,2,3,4c,4ac,12ac-hexahydroisoindolo2,1-aquinazoline-5,11-dione 
 
4b-p-tolyl-6,9-methano-5ar,6c,7,8,9c,9ac-hexahydroisoindolo1,2-bquinazoline-10,12-dione 

[1]Sohár,Pál;Csámpai,Antal;Szabó,AngelaE.;Stájer,Géza[JournalofMolecularStructure,2004,vol.694,#1-3,p.139-147]

[1]Cappelli,Andrea;Mohr,GalLaPericot;Giuliani,Germano;Galeazzi,Simone;Anzini,Maurizio;Mennuni,Laura;Ferrari,Flora;Makovec,Francesco;Kleinrath,EvaM.;Langer,Thierry;Valoti,Massimo;Giorgi,Gianluca;Vomero,Salvatore[JournalofMedicinalChemistry,2006,vol.49,#22,p.6451-6464]

[2]Locationinpatent:experimentalpartDeore;Chen;Chen;Chang;Chuang;Chern;Wang;Chern[CurrentMedicinalChemistry,2012,vol.19,#4,p.613-624]

[1]Seo,Sangwon;Slater,Mark;Greaney,MichaelF.[OrganicLetters,2012,vol.14,#10,p.2650-2653]

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.729-732

[2]Patent:CN104788333,2017,B

[3]Patent:CN111087323,2020,A

Literature

Title: Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents.

Journal: Bioorganic & medicinal chemistry letters 20051201

Title: Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

Journal: Journal of medicinal chemistry 20040506

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SDS
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