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5699-79-6,MFCD00066064
Catalog No.:AA00EGO4

5699-79-6 | Bz-val-oh

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5g
≥ 99% (TLC)
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00EGO4
Chemical Name:
Bz-val-oh
CAS Number:
5699-79-6
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD00066064
SMILES:
CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1
Properties
Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Downstream Synthesis Route
72-18-4    98-88-4   
N-benzoyl-L-valine 

[1]Locationinpatent:experimentalpartDuguet,Nicolas;Donaldson,Adele;Leckie,StuartM.;Kallstroem,EddyA.;Campbell,CraigD.;Shapland,Peter;Brown,ThomasB.;Slawin,AlexandraM.Z.;Smith,AndrewD.[TetrahedronAsymmetry,2010,vol.21,#5,p.601-616]

[2]Locationinpatent:experimentalpartCampbell,CraigD.;Concellon,Carmen;Smith,AndrewD.[TetrahedronAsymmetry,2011,vol.22,#7,p.797-811]

[3]Benouargha,Amina;Verducci,Jean;Jacquier,Robert[BulletindelaSocieteChimiquedeFrance,1995,vol.132,#8,p.824-828]

[4]Otsuka,Rikuto;Maruhashi,Kazuo;Ohwada,Tomohiko[Synthesis,2018,vol.50,#10,p.2041-2057]

[5]Tatar,Esra;Küçükgüzel,Ilkay;Daelemans,Dirk;Talele,TanajiT.;Kaushik-Basu,Neerja;DeClercq,Erik;Pannecouque,Christophe[ArchivderPharmazie,2013,vol.346,#2,p.140-153]

[6]Kamedaetal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1958,vol.78,p.767][Chem.Abstr.,1958,p.18237]Foxetal.[ArchivesofBiochemistry,1950,vol.25,p.21,26]

[7]Christensen[JournalofBiologicalChemistry,1944,vol.154,p.427,431]

[8]Dean,B.M.etal.[JournaloftheChemicalSociety,1961,p.3394-3400]

[9]Leone-Bay,Andrea;McInnes,Campbell;Wang,NaiFang;DeMorin,Frenel;Achan,Doug;etal.[JournalofMedicinalChemistry,1995,vol.38,#21,p.4257-4262]

[10]Locationinpatent:experimentalpartGomez,EdisonDiaz;Duddeck,Helmut[MagneticResonanceinChemistry,2009,vol.47,#3,p.222-227]

[11]Locationinpatent:experimentalpartZhang,Jinchao;Zhang,Fangfang;Wang,Liwei;Du,Jianlong;Wang,Shuxiang;Li,Shenghui[JournalofCoordinationChemistry,2012,vol.65,#12,p.2159-2169]

[12]Serra,Massimo;Bernardi,Eric;Marrubini,Giorgio;DeLorenzi,Ersilia;Colombo,Lino[EuropeanJournalofOrganicChemistry,2019,vol.2019,#4,p.732-741]

[13]Mancuso,Francesca;DeLuca,Laura;Bucolo,Federica;Vrabel,Milan;Angeli,Andrea;Capasso,Clemente;Supuran,ClaudiuT.;Gitto,Rosaria[ChemMedChem,2021,vol.16,#24,p.3787-3794]

Literature
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