Home Bromides 50916-55-7
50916-55-7,MFCD00833267
Catalog No.:AA0035SY

50916-55-7 | 3-(2-Bromoacetyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$45.00   $32.00
- +
5g
97%
in stock  
$112.00   $78.00
- +
10g
97%
in stock  
$193.00   $135.00
- +
25g
97%
in stock  
$378.00   $264.00
- +
100g
97%
in stock  
$1,424.00   $997.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0035SY
Chemical Name:
3-(2-Bromoacetyl)benzonitrile
CAS Number:
50916-55-7
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00833267
SMILES:
BrCC(=O)c1cccc(c1)C#N
Properties
Properties
 
BP:
317.7°C at 760 mmHg  
Form:
Solid  
MP:
65-67 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2  

Downstream Synthesis Route
504-29-0    50916-55-7   
3-(imidazo1,2-a-pyridin-2-yl)benzonitrile 

[1]El-Awady,Raafat;Saleh,Ekram;Hamoudi,Rifat;Ramadan,WafaaS.;Mazitschek,Ralph;Nael,ManalA.;Elokely,KhaledM.;Abou-Gharbia,Magid;Childers,WayneE.;Srinivasulu,Vunnam;Aloum,Lujain;Menon,Varsha;Al-Tel,TalebH.[BioorganicandMedicinalChemistry,2021,vol.42]

[2]Redon,Sébastien;ObahKosso,AnneRoly;Broggi,Julie;Vanelle,Patrice[TetrahedronLetters,2017,vol.58,#28,p.2771-2773]

[3]Schmid;Gruendig[MonatsheftefurChemie,1953,vol.84,p.491,496]

[4]Gunaganti,Naresh;Kharbanda,Anupreet;Lakkaniga,NagaRajiv;Zhang,Lingtian;Cooper,Rose;Li,Hong-yu;Frett,Brendan[ChemicalCommunications,2018,vol.54,#92,p.12954-12957]

[5]Naresh,Gunaganti;Lakkaniga,NagaRajiv;Kharbanda,Anupreet;Yan,Wei;Frett,Brendan;Li,Hong-Yu[EuropeanJournalofOrganicChemistry,2019,vol.2019,#4,p.770-777]

[1]BulletindelaSocieteChimiquedeFrance,1948,p.593,596

[2]JournalofHeterocyclicChemistry,1992,vol.28,p.2025-2028

[3]JournalofPhysicalChemistry,1995,vol.99,p.8190-8195

[4]JournalofMedicinalChemistry,1998,vol.41,p.2390-2410

[5]Bioorganicandmedicinalchemistryletters,2002,vol.12,p.1511-1515

[6]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.3081-3085

[7]Patent:US5668165,1997,A

[8]Patent:EP1348706,2003,A1.Locationinpatent:Page/Pagecolumn73

[9]Patent:US2009/118292,2009,A1.Locationinpatent:Page/Pagecolumn27

[10]Patent:WO2011/137587,2011,A1.Locationinpatent:Page/Pagecolumn53

[11]Patent:WO2012/100734,2012,A1.Locationinpatent:Page/Pagecolumn24

[12]MedicinalChemistryResearch,2019,vol.28,p.1461-1470

[1]Barlow,JeffreyJ.;Blackburn,ThomasP.;Costello,GerardF.;James,Roger;Count,DavidJ.Le;etal.[JournalofMedicinalChemistry,1991,vol.34,#11,p.3149-3158]

[1]Donetti;Cereda;Bellora;Gallazzi;Bazzano;Vanoni;DelSoldato;Micheletti;Pagani;Giachetti[JournalofMedicinalChemistry,1984,vol.27,#3,p.380-386]

[2]Tanaka,Akira;Terasawa,Takeshi;Hagihara,Hiroyuki;Sakuma,Yuri;Ishibe,Noriko;Sawada,Masae;Takasugi,Hisashi;Tanaka,Hirokazu[JournalofMedicinalChemistry,1998,vol.41,#13,p.2390-2410]

[3]Locationinpatent:experimentalpartKumar,Sanjeev;Jaller,Daniel;Patel,Bhumika;LaLonde,JudithM.;DuHadaway,JamesB.;Malachowski,WilliamP.;Prendergast,GeorgeC.;Muller,AlexanderJ.[JournalofMedicinalChemistry,2008,vol.51,#16,p.4968-4977]

[4]CurrentPatentAssignee:Bial-Sgps,S.A-WO2015/16728,2015,A1Locationinpatent:Page/Pagecolumn39;59

6136-68-1    50916-55-7   
3-(2,2-dibromoacetyl)benzonitrile 

[1]Watson,CorrineY.;Whish,WilliamJ.D.;Threadgill,MichaelD.[BioorganicandMedicinalChemistry,1998,vol.6,#6,p.721-734]

[2]Locationinpatent:experimentalpartPerez,DanielI.;Palomo,Valle;Pérez,Concepción;Gil,Carmen;Dans,PabloD.;Luque,F.Javier;Conde,Santiago;Martínez,Ana[JournalofMedicinalChemistry,2011,vol.54,#12,p.4042-4056]

Literature

Title: Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds.

Journal: Journal of medicinal chemistry 20110623

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Tags:50916-55-7 Molecular Formula|50916-55-7 MDL|50916-55-7 SMILES|50916-55-7 3-(2-Bromoacetyl)benzonitrile