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Home Amines 158001-28-6
158001-28-6,MFCD00128289
Catalog No.:AA001PU1

158001-28-6 | 5-Amino-1-tert-butyl-1h-pyrazole-4-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$15.00   $11.00
- +
250mg
97%
in stock  
$18.00   $13.00
- +
1g
95%
in stock  
$30.00   $21.00
- +
5g
97%
in stock  
$64.00   $45.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001PU1
Chemical Name:
5-Amino-1-tert-butyl-1h-pyrazole-4-carbonitrile
CAS Number:
158001-28-6
Molecular Formula:
C8H12N4
Molecular Weight:
164.2077
MDL Number:
MFCD00128289
SMILES:
N#Cc1cnn(c1N)C(C)(C)C
Properties
Properties
 
BP:
325.7°C at 760 mmHg  
Form:
Solid  
MP:
92.9-94.5℃  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
209  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1  

Upstream Synthesis Route

[1]MedChemComm,2017,vol.8,#3,p.640-646

[2]Patent:WO2017/46604,2017,A1,.Locationinpatent:Paragraph00228

[3]OrganicLetters,2012,vol.14,#15,p.3906-3908

[4]Patent:CN106008527,2016,A,.Locationinpatent:Paragraph0048;0049;0050;0051

[5]EuropeanJournalofOrganicChemistry,2008,#19,p.3377-3381

[6]Patent:WO2007/126841,2007,A2,.Locationinpatent:Page/Pagecolumn73

[7]Patent:WO2009/62118,2009,A2,.Locationinpatent:Page/Pagecolumn170

[8]Patent:WO2017/161344,2017,A1,.Locationinpatent:Paragraph0813-814

[9]JournalofMedicinalChemistry,2017,vol.60,#24,p.9976-9989

[1]TetrahedronLetters,2011,vol.52,#44,p.5761-5763

[2]JournalofMedicinalChemistry,1996,vol.39,#5,p.1164-1171

[3]Patent:US5294612,1994,A,

[4]Chemistry-AEuropeanJournal,2018,

Downstream Synthesis Route

[1]Patent:CN110551130,2019,A.Locationinpatent:Paragraph0079-0082

[2]TetrahedronLetters,2011,vol.52,p.5761-5763

[3]JournalofMedicinalChemistry,1996,vol.39,p.1164-1171

[4]Patent:US5294612,1994,A

[5]Chemistry-AEuropeanJournal,2018,vol.24,p.15495-15501

122-51-0    158001-28-6   
1-tert-butyl-4-cyano-5-<(ethoxymethylene)amino>pyrazole 

[1]JournalofMedicinalChemistry,1996,vol.39,p.1164-1171

33842-02-3    158001-28-6   
1-tert-butyl-5-chloro(dimethylamino)methyleneamino-4-cyano-1H-pyrazole 

[1]EuropeanJournalofMedicinalChemistry,2001,vol.36,p.321-332

75318-43-3    158001-28-6   
(4-chloro-1,2,3dithiazol-5-ylidene)(1-tert-butyl-4-cyanopyrazol-5-yl)amine 

[1]BioorganicandMedicinalChemistry,2002,vol.10,p.449-456

[1]SyntheticCommunications,2006,vol.36,p.1177-1183

Literature
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