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Home Indole and Oxindoles 3842-20-4
3842-20-4,MFCD00087362
Catalog No.:AA00CMDJ

3842-20-4 | (1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetonitrile

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250mg
98%
in stock  
$8.00   $6.00
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1g
98%
in stock  
$18.00   $13.00
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25g
98%
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$273.00   $192.00
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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:
AA00CMDJ
Chemical Name:
(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetonitrile
CAS Number:
3842-20-4
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
MDL Number:
MFCD00087362
SMILES:
N#CCN1C(=O)c2c(C1=O)cccc2
NSC Number:
403772
Properties
Computed Properties
 
Complexity:
304  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Balogetal.[1958,vol.1,p.97,105]

[2]Boseetal.[JournalofOrganicChemistry,1959,vol.24,p.1309,1313]

[1]CurrentPatentAssignee:NANTONGUNIVERSITY-CN111848546,2020,ALocationinpatent:Paragraph0008;0025;0028-0029;0042;0045-0046;0059;0062

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2009/156642,2009,A1Locationinpatent:Page/Pagecolumn41

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP2196459,2010,A1Locationinpatent:Page/Pagecolumn79-80

[4]Chi;Tshin[JournaloftheAmericanChemicalSociety,1942,vol.64,p.90]

[5]Imanishi,Naoki;Iwaoka,Kiyoshi;Koshio,Hiroyuki;Nagashima,Shin-Ya;Kazuta,Ken-Ichi;Ohta,Mitsuaki;Sakamoto,Shuichi;Ito,Hiroyuki;Akuzawa,Shinobu;Kiso,Tetsuo;Tsukamoto,Shin-Ichi;Mase,Toshiyasu[BioorganicandMedicinalChemistry,2003,vol.11,#7,p.1493-1502]

[1]SoltaniRad,MohammadNavid;Behrouz,Somayeh;SadeghiDehchenari,Vahid;Hoseini,S.Jafar[JournalofHeterocyclicChemistry,2017,vol.54,#1,p.355-365]

[2]Afsarian,MohammadHosein;Farjam,Mojtaba;Zarenezhad,Elham;Behrouz,Somayeh;Rad,MohammadNavidSoltani[ActaChimicaSlovenica,2019,vol.66,#4,p.874-887]

[3]McManus;Herbst[JournalofOrganicChemistry,1959,vol.24,p.1643,1646]

[1]Boseetal.[JournalofOrganicChemistry,1959,vol.24,p.1309,1313]

[1]Stephen[JournaloftheChemicalSociety,1931,p.871,872]Boseetal.[JournalofOrganicChemistry,1959,vol.24,p.1309,1313]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 2-(1,3-Dioxoisoindolin-2-yl)acetonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

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SDS
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Tags:3842-20-4 Molecular Formula|3842-20-4 MDL|3842-20-4 SMILES|3842-20-4 (1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)acetonitrile