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25739-23-5,MFCD00438677
Catalog No.:AA00BD4G

25739-23-5 | 4-(Phenylethynyl)benzoic acid

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100mg
97%
in stock  
$11.00   $8.00
- +
250mg
97%
in stock  
$17.00   $12.00
- +
1g
97%
in stock  
$38.00   $27.00
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5g
97%
in stock  
$160.00   $112.00
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100g
97%
in stock  
$2,007.00   $1,405.00
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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:
AA00BD4G
Chemical Name:
4-(Phenylethynyl)benzoic acid
CAS Number:
25739-23-5
Molecular Formula:
C15H10O2
Molecular Weight:
222.2387
MDL Number:
MFCD00438677
SMILES:
OC(=O)c1ccc(cc1)C#Cc1ccccc1
Properties
Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.5  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1953,vol.75,p.3452,3453

[1]ChemischeBerichte,1960,vol.93,p.990-998

[2]JournalofMedicinalChemistry,2012,vol.55,p.327-341

[3]AngewandteChemie-InternationalEdition,2014,vol.53,p.2722-2726    Angew.Chem.,2014,vol.126,p.2760-2764,5

[4]JournalofOrganicChemistry,2016,vol.81,p.2166-2173

[5]JournalofMedicinalChemistry,2018,vol.61,p.9534-9550

[1]ChemischeBerichte,1960,vol.93,p.990-998

[1]JournaloftheIranianChemicalSociety,2019,vol.16,p.2693-2705

[2]RSCAdvances,2014,vol.4,p.32826-32833

[3]JournalofChemicalResearch-PartS,2000,p.536-537

[4]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2007,vol.46,p.154-159

[5]TetrahedronLetters,1996,vol.37,p.897-900

[6]ChemCatChem,2013,vol.5,p.2453-2461

[7]RSCAdvances,2019,vol.9,p.20749-20759

[8]JournalofMolecularCatalysisA:Chemical,2016,vol.425,p.147-156

[9]Tetrahedron,2020

[10]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1984,vol.33,p.1433-1438    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1984,p.1561-1566

[11]AppliedOrganometallicChemistry,2018,vol.32

[12]TetrahedronLetters,1994,vol.35,p.8919-8922

[13]TransitionMetalChemistry,2010,vol.35,p.305-313

[14]RSCAdvances,2016,vol.6,p.49376-49386

[15]JournalofOrganometallicChemistry,2019,vol.904

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.6173-6177

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Membrane anchoring of diacylglycerol lactones substituted with rigid hydrophobic acyl domains correlates with biological activities.

Journal: The FEBS journal 20100101

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SDS
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