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6268-00-4,MFCD00019807
Catalog No.:AA00EVQB

6268-00-4 | 4-Oxo-2,4-diphenylbutanenitrile

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250mg
95%
in stock  
$40.00   $28.00
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1g
95%
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$117.00   $82.00
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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:
AA00EVQB
Chemical Name:
4-Oxo-2,4-diphenylbutanenitrile
CAS Number:
6268-00-4
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD00019807
SMILES:
N#CC(c1ccccc1)CC(=O)c1ccccc1
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
315  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Strappaveccia,Giacomo;Angelini,Tommaso;Bianchi,Luca;Santoro,Stefano;Piermatti,Oriana;Lanari,Daniela;Vaccaro,Luigi[AdvancedSynthesisandCatalysis,2016,vol.358,#13,p.2134-2139]

[2]Strappaveccia,Giacomo;Angelini,Tommaso;Bianchi,Luca;Santoro,Stefano;Piermatti,Oriana;Lanari,Daniela;Vaccaro,Luigi[AdvancedSynthesisandCatalysis,2016,vol.358,#13,p.2134-2139]

[3]Iida,Hirokazu;Moromizato,Tatsuya;Hamana,Hiroshi;Matsumoto,Kiyoshi[TetrahedronLetters,2007,vol.48,#11,p.2037-2039]

[4]Guo,Shuhui;Mi,Xueling[TetrahedronLetters,2017,vol.58,#30,p.2881-2884]

[1]JournaloftheChemicalSociety,1943,p.596

[1]Locationinpatent:experimentalpartYang,Jingya;Shen,Yongbin;Chen,Fu-Xue[Synthesis,2010,#8,p.1325-1333]

[2]Locationinpatent:experimentalpartYang,Jingya;Chen,Fuxue[ChineseJournalofChemistry,2010,vol.28,#6,p.981-987]

[3]Locationinpatent:experimentalpartYang,Jingya;Wu,Shaoxiang;Chen,Fu-Xue[Synlett,2010,#18,p.2725-2728]

[4]Dong,Cheng;Song,Tao;Bai,Xing-Feng;Cui,Yu-Ming;Xu,Zheng;Xu,Li-Wen[Catalysisscienceandtechnology,2015,vol.5,#10,p.4755-4759]

[5]Oskouie,AfsanehArefi;Taheri,Salman;Mamani,Leila;Heydari,Akbar[CatalysisCommunications,2015,vol.72,p.6-10]

[1]Ramesh,Samikannu;Lalitha,Appaswami[ActaChimicaSlovenica,2013,vol.60,#3,p.689-694]

201230-82-2    6277-67-4    3274-56-4    1083-30-3   
4-oxo-2,4-diphenylbutanaloxime 
  6268-00-4 

[1]Tetrahedron,2014,vol.70,p.4395-4399

Literature

Title: 4-Oxo-2,4-diphenyl-butane-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

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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