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563-83-7,MFCD00008019
Catalog No.:AA003R0J

563-83-7 | Isobutyramide

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5g
97%
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$6.00   $4.00
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25g
97%
in stock  
$14.00   $10.00
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100g
97%
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$17.00   $12.00
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  • 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:
AA003R0J
Chemical Name:
Isobutyramide
CAS Number:
563-83-7
Molecular Formula:
C4H9NO
Molecular Weight:
87.1204
MDL Number:
MFCD00008019
SMILES:
CC(C(=O)N)C
NSC Number:
8423
Properties
Properties
 
BP:
216-220°C at 760 mmHg  
Form:
Solid  
MP:
127-130 °C  
Refractive Index:
1.4345 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
58.6  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.2  

Upstream Synthesis Route

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[1]RecueildesTravauxChimiquesdesPays-Bas,1940,vol.59,p.1029,1034

[1]ChemicalCommunications,2015,vol.51,#96,p.17132-17135

[1]Synlett,2015,vol.26,#12,p.1697-1701

[1]ChemicalCommunications,2012,vol.48,#7,p.982-984

Downstream Synthesis Route

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[2]Synthesis,2007,p.3179-3184

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[2]<1955>491,

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[6]TetrahedronLetters,1995,vol.36,p.3469-3472

[7]BulletinoftheChemicalSocietyofJapan,1981,vol.54,p.793-799

[8]BulletindelaSocieteChimiquedeFrance,1996,vol.133,p.89-100

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[12]Organometallics,2013,vol.32,p.824-834

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[14]Molecules,2019,vol.24

[1]Patent:EP3018125,2016,A1.Locationinpatent:Paragraph0784

[2]Patent:US2002/161237,2002,A1

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[4]JournaloftheChemicalSociety.PerkintransactionsI,1993,p.1629-1636

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[6]Patent:WO2009/76140,2009,A1.Locationinpatent:Page/Pagecolumn240

[7]Patent:WO2010/104899,2010,A1.Locationinpatent:Page/Pagecolumn105

[8]Patent:WO2011/59610,2011,A1.Locationinpatent:Page/Pagecolumn107

[9]Patent:US2009/298815,2009,A1.Locationinpatent:Page/Pagecolumn48-49

[10]Patent:WO2019/206049,2019,A1.Locationinpatent:Page/Pagecolumn128

[11]JournalofMedicinalChemistry,1998,vol.41,p.602-617

[12]EuropeanJournalofMedicinalChemistry,2004,vol.39,p.867-872

[13]Tetrahedron,2006,vol.62,p.11592-11598

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[15]Patent:US5455351,1995,A

[16]Patent:US5559158,1996,A

[17]Patent:US5484801,1996,A

[18]Patent:US5461067,1995,A

[19]OrganicandBiomolecularChemistry,2014,vol.12,p.4233-4242

[20]EuropeanJournalofMedicinalChemistry,2019,vol.178,p.315-328

[1]TetrahedronLetters,1994,vol.35,p.3313-3314

[2]RecueildesTravauxChimiquesdesPays-Bas,1996,vol.115,p.231-238

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