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7391-28-8,MFCD00067895
Catalog No.:AA003LOM

7391-28-8 | 4-Methylbenzoylacetonitrile

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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$9.00   $7.00
- +
25g
98%
in stock  
$103.00   $72.00
- +
100g
98%
in stock  
$338.00   $237.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003LOM
Chemical Name:
4-Methylbenzoylacetonitrile
CAS Number:
7391-28-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00067895
SMILES:
N#CCC(=O)c1ccc(cc1)C
Properties
Properties
 
BP:
318.2°C at 760 mmHg  
Form:
Solid  
MP:
105-108 °C(lit.)  
Refractive Index:
1.6130 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Gao,Yang;Wang,Hui;Xu,Minghua;Lian,Hongzhen;Pan,Yi;Shi,Yaozeng[OrganicPreparationsandProceduresInternational,2001,vol.33,#4,p.351-356]

[2]Seneci;Nicola;Inglesi;Vanotti;Resnati[SyntheticCommunications,1999,vol.29,#2,p.311-341]

[3]CurrentPatentAssignee:PFIZERINC-WO2009/62118,2009,A2Locationinpatent:Page/Pagecolumn182

[4]Liu,Wen;Zhou,Jing;Zheng,Changwu;Chen,Xingkuan;Xiao,Hua;Yang,Yingquan;Guo,Yinlong;Zhao,Gang[Tetrahedron,2011,vol.67,#10,p.1768-1773]

[5]Vazquez-Villa,Henar;Reber,Stefan;Ariger,MartinA.;Carreira,ErickM.[AngewandteChemie-InternationalEdition,2011,vol.50,#38,p.8979-8981]

[6]Zheng,Congke;Zhang,Xiaohui;IjazHussain,Muhammad;Huang,Mingming;Liu,Qing;Xiong,Yan;Zhu,Xiangming[TetrahedronLetters,2017,vol.58,#6,p.574-577]

[7]Eldehna,WagdyM.;El-Naggar,DinaH.;Hamed,AhmedR.;Ibrahim,HanyS.;Ghabbour,HazemA.;Abdel-Aziz,HatemA.[JournalofEnzymeInhibitionandMedicinalChemistry,2018,vol.33,#1,p.309-318]

[8]Al-Rashood,SaraT.;Hamed,AhmedR.;Hassan,GhadaS.;Alkahtani,HamadM.;Almehizia,AbdulrahmanA.;Alharbi,Amal;Al-Sanea,MohammadM.;Eldehna,WagdyM.[JournalofEnzymeInhibitionandMedicinalChemistry,2020,vol.35,#1,p.831-839]Abdel-Aziz,HatemA.;Barghash,RehamF.;Eldehna,WagdyM.;Kovalová,Markéta;Kryštof,Vladimír;Vojáčková,Veronika[EuropeanJournalofMedicinalChemistry,2022,vol.227]

108-94-1    7391-28-8   
LUF5527 

[1]Tranberg,C.Elisabet;Zickgraf,Andrea;Giunta,BrianN.;Luetjens,Henning;Figler,Heidi;Murphree,LaurenJ.;Falke,Ruediger;Fleischer,Holger;Linden,Joel;Scammells,PeterJ.;Olsson,RayA.[JournalofMedicinalChemistry,2002,vol.45,#2,p.382-389]

[2]VanDerKlein,PieterA.M.;Kourounakis,AngelikiP.;IJzerman,AdP.[JournalofMedicinalChemistry,1999,vol.42,#18,p.3629-3635]

[3]Aurelio,Luigi;Christopoulos,Arthur;Flynn,BernardL.;Scammells,PeterJ.;Sexton,PatrickM.;Valant,Celine[BioorganicandMedicinalChemistryLetters,2011,vol.21,#12,p.3704-3707]

[1]JournalfurpraktischeChemie(Leipzig1954),1906,vol.<2>74,p.532

[1]JagathReddy;Latha;SrinivasaRao[OrganicPreparationsandProceduresInternational,2004,vol.36,#5,p.494-498]

[2]Kelada,Mark;Walsh,JohnM.D.;Devine,RobertW.;McArdle,Patrick;Stephens,JohnC.[BeilsteinJournalofOrganicChemistry,2018,vol.14,p.122-1228]

[3]Reddy;Reddy,Pragati;Reddy,G.Jagath;Rao,K.Srinivasa[HeterocyclicCommunications,2004,vol.10,#2-3,p.163-166]

[4]Takahashi,Toshiyuki;Sakuraba,Aya;Hirohashi,Tomoko;Shibata,Takunobu;Hirose,Masaaki;Haga,Yuji;Nonoshita,Katsumasa;Kanno,Tetsuya;Ito,Junko;Iwaasa,Hisashi;Kanatani,Akio;Fukami,Takehiro;Sato,Nagaaki[BioorganicandMedicinalChemistry,2006,vol.14,#22,p.7501-7511]

[1]Talwar,Dinesh;Wu,Xiaofeng;Saidi,Ourida;Salguero,NoemíPoyatos;Xiao,Jianliang[Chemistry-AEuropeanJournal,2014,vol.20,#40,p.12835-12842]

[2]Kamila,Sukanta;Zhu,Dunming;Biehl,EdwardR.;Hua,Ling[OrganicLetters,2006,vol.8,#20,p.4429-4431]

[3]Coady,TraceyM.;Coffey,LeeV.;O'Reilly,Catherine;Lennon,ClaireM.[EuropeanJournalofOrganicChemistry,2015,vol.2015,#5,p.1108-1116]

Literature
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