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35276-81-4,MFCD02260802
Catalog No.:AA007DUR

35276-81-4 | 3-(2-Methylphenyl)-3-oxopropanenitrile

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Purity
Availability
Price(USD)
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250mg
98%(GC)
in stock  
$37.00   $26.00
- +
1g
98%
in stock  
$95.00   $67.00
- +
5g
98%
in stock  
$278.00   $195.00
- +
10g
98%
in stock  
$477.00   $334.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
100g
98%
in stock  
$2,007.00   $1,405.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007DUR
Chemical Name:
3-(2-Methylphenyl)-3-oxopropanenitrile
CAS Number:
35276-81-4
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD02260802
SMILES:
N#CCC(=O)c1ccccc1C
Properties
Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Ma,Lichao;Yuan,Liwei;Xu,Changzhu;Li,Guowei;Tao,Minli;Zhang,Wenqin[Synthesis,2013,vol.45,#1,p.45-52]

[2]CurrentPatentAssignee:XENONPHARMACEUTICALSINC-WO2008/109856,2008,A2Locationinpatent:Page/Pagecolumn78

[3]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]

[4]Zhang,Ya-Kai;Wang,Bin[EuropeanJournalofOrganicChemistry,2019,vol.2019,#33,p.5732-5735]

[5]Liu,Chong;Yuan,Jing;Zhang,Zhenfeng;Gridnev,IlyaD.;Zhang,Wanbin[AngewandteChemie-InternationalEdition,2021,vol.60,#16,p.8997-9002][Angew.Chem.,2021,vol.133,#16,p.9079-9084,6]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2006/71752,2006,A1Locationinpatent:Page/Pagecolumn57

[1]Huang,DavidS.;Leblanc,EmmanuelleV.;Shekhar-Guturja,Tanvi;Robbins,Nicole;Krysan,DamianJ.;Pizarro,Juan;Whitesell,Luke;Cowen,LeahE.;Brown,LaurenE.[JournalofMedicinalChemistry,2020,vol.63,#5,p.2139-2180]

[2]Marcyk,PaulT.;Leblanc,EmmanuelleV.;Kuntz,DouglasA.;Xue,Alice;Ortiz,Francisco;Trilles,Richard;Bengtson,Stephen;Kenney,TristanM.G.;Huang,DavidS.;Robbins,Nicole;Williams,NoelleS.;Krysan,DamianJ.;Privé,GilbertG.;Whitesell,Luke;Cowen,LeahE.;Brown,LaurenE.[JournalofMedicinalChemistry,2021,vol.64,#2,p.1139-1169]

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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