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5558-67-8,MFCD00001846
Catalog No.:AA003F9E

5558-67-8 | 2,2-Diphenylpropionitrile

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1g
97%
in stock  
$23.00   $16.00
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5g
95%
in stock  
$32.00   $22.00
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10g
95%
in stock  
$42.00   $29.00
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25g
95%
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$65.00   $45.00
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100g
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$150.00   $105.00
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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:
AA003F9E
Chemical Name:
2,2-Diphenylpropionitrile
CAS Number:
5558-67-8
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00001846
SMILES:
N#CC(c1ccccc1)(c1ccccc1)C
NSC Number:
62703
Properties
Properties
 
BP:
324.4°C at 760 mmHg  
Refractive Index:
n20/D 1.572(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
242  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.6  

Downstream Synthesis Route

[1]Too,PeiChui;Chan,GuoHao;Tnay,YaLin;Hirao,Hajime;Chiba,Shunsuke[AngewandteChemie-InternationalEdition,2016,vol.55,#11,p.3719-3723][Angew.Chem.,2016,vol.128,#11,p.3783-3787,5]

[2]Alazet,Sébastien;West,MichaelS.;Patel,Purvish;Rousseaux,SophieA.L.[AngewandteChemie-InternationalEdition,2019,vol.58,#30,p.10300-10304][Angew.Chem.,2019,vol.131,#30,p.10406-10410,5]

[3]Lu,MattiasC.;Wung,WalleyE.;Shih,LisaB.;Callejas,Soledad;Gearien,JamesE.;Thompson,EmmanuelB.[JournalofMedicinalChemistry,1987,vol.30,#2,p.273-278]

[4]Takamatsu,Kazutaka;Hirano,Koji;Satoh,Tetsuya;Miura,Masahiro[JournalofOrganicChemistry,2015,vol.80,#6,p.3242-3249]

[5]CurrentPatentAssignee:SUVALENTTHERAPEUTICS-WO2020/191151,2020,A1Locationinpatent:Paragraph0204

[1]Mattalia,Jean-Marc;Bodineau,Nicolas;Negrel,Jean-Claude;Chanon,Michel[JournalofPhysicalOrganicChemistry,2000,vol.13,#5,p.233-236]

[1]Too,PeiChui;Chan,GuoHao;Tnay,YaLin;Hirao,Hajime;Chiba,Shunsuke[AngewandteChemie-InternationalEdition,2016,vol.55,#11,p.3719-3723][Angew.Chem.,2016,vol.128,#11,p.3783-3787,5]

[1]Edjoc,RacquelK.;Mills,L.Reginald;Rousseaux,SophieA.L.[JournaloftheAmericanChemicalSociety,2021,vol.143,#27,p.10422-10428]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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