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Home Deuterated Building Blocks 39528-62-6
39528-62-6,MFCD00179689
Catalog No.:AA00C728

39528-62-6 | 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$527.00   $369.00
- +
2g
97%
1 week  
$774.00   $542.00
- +
5g
97%
1 week  
$1,506.00   $1,054.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C728
Chemical Name:
3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANENITRILE
CAS Number:
39528-62-6
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD00179689
SMILES:
N#CCC(=O)c1ccc(cc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
271  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.4196-4200

[1]Havel,Stepan;Khirsariya,Prashant;Akavaram,Naresh;Paruch,Kamil;Carbain,Benoit[JournalofOrganicChemistry,2018,vol.83,#24,p.15380-15405]

[2]Liu,Zhiqing;Zhu,Yingmin;Chen,Haiying;Wang,Pingyuan;Mei,FangC.;Ye,Na;Cheng,Xiaodong;Zhou,Jia[BioorganicandMedicinalChemistryLetters,2017,vol.27,#23,p.5163-5166]

[3]Locationinpatent:schemeortableDanel,KrzysztofS.;Uchacz,Tomasz;Karelus,Marcin[ARKIVOC,2011,vol.2011,#9,p.272-280]

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

4863-91-6    39528-62-6   
(E)-2-(4-(tert-butyl)phenyl)-N-(3-chloro-5-fluorophenyl)-2-oxoacetohydrazonoylcyanide 

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.5163-5166

69411-05-8    39528-62-6   
(E)-2-(4-(tert-butyl)phenyl)-N-(3-chloro-5-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.5163-5166

445-13-6    39528-62-6   
C20H17ClF3N3O 

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.5163-5166

Literature
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