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20249-16-5,MFCD01087798
Catalog No.:AA00286W

20249-16-5 | 3-Oxocyclobutanecarbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$39.00   $27.00
- +
5g
96%
in stock  
$83.00   $58.00
- +
25g
96%
in stock  
$366.00   $256.00
- +
100g
96%
in stock  
$1,421.00 $995.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00286W
Chemical Name:
3-Oxocyclobutanecarbonitrile
CAS Number:
20249-16-5
Molecular Formula:
C5H5NO
Molecular Weight:
95.0993
MDL Number:
MFCD01087798
SMILES:
N#CC1CC(=O)C1
Properties
Properties
 
BP:
249℃  
Form:
Solid  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
133  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.6  

Upstream Synthesis Route

[1]Patent:US2012/122843,2012,A1,.Locationinpatent:Page/Pagecolumn39

[2]Patent:WO2015/179190,2015,A1,.Locationinpatent:Paragraph0331

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,#13,p.3947-3953

[4]Patent:US2014/80803,2014,A1,.Locationinpatent:Paragraph1262

[5]JournalofMedicinalChemistry,2016,vol.59,#10,p.4926-4947

[6]Patent:WO2013/62964,2013,A2,.Locationinpatent:Paragraph1265

[7]Patent:US2014/80803,2014,A1,.Locationinpatent:Paragraph1133

[8]Patent:US2014/80803,2014,A1,.Locationinpatent:Paragraph1154

[9]Patent:WO2011/31554,2011,A2,.Locationinpatent:Page/Pagecolumn175

[10]SyntheticCommunications,2005,vol.35,#5,p.657-662

[11]Patent:WO2015/115673,2015,A1,.Locationinpatent:Page/Pagecolumn88

[12]Patent:EP2738156,2014,A1,.Locationinpatent:Paragraph0140-0141

[13]Patent:WO2015/196071,,A1,.Locationinpatent:Paragraph0406

[13]Patent:,2015,,.Locationinpatent:Paragraph0406

[15]Patent:WO2016/105468,2016,A1,.Locationinpatent:Paragraph0194

[16]Patent:WO2016/115090,2016,A1,.Locationinpatent:Paragraph0400

[17]Patent:WO2017/40606,2017,A1,.Locationinpatent:Paragraph0357

[18]Patent:WO2009/64835,2009,A1,.Locationinpatent:Page/Pagecolumn144-145

[19]Patent:US2009/233903,2009,A1,.Locationinpatent:Page/Pagecolumn51-52

[20]Patent:US2010/160356,2010,A1,.Locationinpatent:Page/Pagecolumn33-34

[21]Patent:US2017/50961,2017,A1,.Locationinpatent:Paragraph1061;1062;1063;1064

[22]JournaloftheAmericanChemicalSociety,1959,vol.81,p.2723,2725

[23]JournaloftheAmericanChemicalSociety,1971,vol.93,#1,p.110-120

[24]Patent:WO2008/147544,2008,A1,.Locationinpatent:Page/Pagecolumn103

[25]Patent:WO2008/147547,2008,A1,.Locationinpatent:Page/Pagecolumn136-137

[26]Patent:WO2009/64418,2009,A1,.Locationinpatent:Page/Pagecolumn78

[27]Patent:US2010/120774,2010,A1,.Locationinpatent:Page/Pagecolumn34-35

[28]Patent:WO2013/28670,2013,A1,.Locationinpatent:Page/Pagecolumn114,115

[29]Patent:US9181236,2015,B2,.Locationinpatent:Page/Pagecolumn139

[30]Patent:WO2016/24185,2016,A1,.Locationinpatent:Page/Pagecolumn119

[1]Tetrahedron,2001,vol.57,#11,p.2221-2230

[1]Tetrahedron,2001,vol.57,#11,p.2221-2230

[1]Patent:US2014/179638,2014,A1,.Locationinpatent:Page/Pagecolumn

[1]Tetrahedron,2001,vol.57,#11,p.2221-2230

[2]Tetrahedron,2001,vol.57,#11,p.2221-2230

[3]Tetrahedron,2001,vol.57,#11,p.2221-2230

Downstream Synthesis Route

[1]Patent:US2012/122843,2012,A1.Locationinpatent:Page/Pagecolumn39

[2]Patent:WO2015/179190,2015,A1.Locationinpatent:Paragraph0331

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.3947-3953

[4]Patent:US2014/80803,2014,A1.Locationinpatent:Paragraph1262

[5]JournalofMedicinalChemistry,2016,vol.59,p.4926-4947

[6]Patent:WO2013/62964,2013,A2.Locationinpatent:Paragraph1265

[7]Patent:US2014/80803,2014,A1.Locationinpatent:Paragraph1133

[8]Patent:US2014/80803,2014,A1.Locationinpatent:Paragraph1154

[9]Patent:WO2011/31554,2011,A2.Locationinpatent:Page/Pagecolumn175

[10]SyntheticCommunications,2005,vol.35,p.657-662

[11]Patent:JP6557436,2019,B1.Locationinpatent:Paragraph0513;0514;0515

[12]Patent:WO2015/115673,2015,A1.Locationinpatent:Page/Pagecolumn88

[13]Patent:EP2738156,2014,A1.Locationinpatent:Paragraph0140-0141

[14]Patent:WO2015/196071,A1.Locationinpatent:Paragraph0406    Patent:,2015,.Locationinpatent:Paragraph0406

[15]Patent:WO2016/105468,2016,A1.Locationinpatent:Paragraph0194

[16]Patent:WO2016/115090,2016,A1.Locationinpatent:Paragraph0400

[17]Patent:WO2017/40606,2017,A1.Locationinpatent:Paragraph0357

[18]Patent:WO2009/64835,2009,A1.Locationinpatent:Page/Pagecolumn144-145

[19]Patent:US2009/233903,2009,A1.Locationinpatent:Page/Pagecolumn51-52

[20]Patent:US2010/160356,2010,A1.Locationinpatent:Page/Pagecolumn33-34

[21]Patent:US2017/50961,2017,A1.Locationinpatent:Paragraph1061;1062;1063;1064

[22]JournaloftheAmericanChemicalSociety,1959,vol.81,p.2723,2725

[23]JournaloftheAmericanChemicalSociety,1971,vol.93,p.110-120

[24]Patent:WO2008/147544,2008,A1.Locationinpatent:Page/Pagecolumn103

[25]Patent:WO2008/147547,2008,A1.Locationinpatent:Page/Pagecolumn136-137

[26]Patent:WO2009/64418,2009,A1.Locationinpatent:Page/Pagecolumn78

[27]Patent:US2010/120774,2010,A1.Locationinpatent:Page/Pagecolumn34-35

[28]Patent:WO2013/28670,2013,A1.Locationinpatent:Page/Pagecolumn114,115

[29]Patent:US9181236,2015,B2.Locationinpatent:Page/Pagecolumn139

[30]Patent:WO2016/24185,2016,A1.Locationinpatent:Page/Pagecolumn119

[1]JournalofOrganometallicChemistry,1976,vol.116,p.153-159

[1]JournalofOrganicChemistry,1974,vol.39,p.2862-2866

20249-16-5   
phenylmagnesiumbromide 
  30494-25-8 

[1]JournaloftheAmericanChemicalSociety,1971,vol.93,p.110-120

[1]JournaloftheAmericanChemicalSociety,1971,vol.93,p.110-120

Literature
Quotation Request
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Tags:20249-16-5 Molecular Formula|20249-16-5 MDL|20249-16-5 SMILES|20249-16-5 3-Oxocyclobutanecarbonitrile
Catalog No.: AA00286W
20249-16-5,MFCD01087798
20249-16-5 | 3-Oxocyclobutanecarbonitrile
Pack Size： 1g
Purity： 96%
in stock
$39.00 $27.00
Pack Size： 5g
Purity： 96%
in stock
$83.00 $58.00
Pack Size： 25g
Purity： 96%
in stock
$366.00 $256.00
Pack Size： 100g
Purity： 96%
in stock
$1,421.00 $995.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00286W
Chemical Name: 3-Oxocyclobutanecarbonitrile
CAS Number: 20249-16-5
Molecular Formula: C5H5NO
Molecular Weight: 95.0993
MDL Number: MFCD01087798
SMILES: N#CC1CC(=O)C1
Properties
BP: 249℃  
Form: Solid  
Storage: -20 ℃;  
Complexity: 133  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.6  
Upstream Synthesis Route
15760-35-7    20249-16-5 

[1]Patent:US2012/122843,2012,A1,.Locationinpatent:Page/Pagecolumn39

[2]Patent:WO2015/179190,2015,A1,.Locationinpatent:Paragraph0331

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,#13,p.3947-3953

[4]Patent:US2014/80803,2014,A1,.Locationinpatent:Paragraph1262

[5]JournalofMedicinalChemistry,2016,vol.59,#10,p.4926-4947

[6]Patent:WO2013/62964,2013,A2,.Locationinpatent:Paragraph1265

[7]Patent:US2014/80803,2014,A1,.Locationinpatent:Paragraph1133

[8]Patent:US2014/80803,2014,A1,.Locationinpatent:Paragraph1154

[9]Patent:WO2011/31554,2011,A2,.Locationinpatent:Page/Pagecolumn175

[10]SyntheticCommunications,2005,vol.35,#5,p.657-662

[11]Patent:WO2015/115673,2015,A1,.Locationinpatent:Page/Pagecolumn88

[12]Patent:EP2738156,2014,A1,.Locationinpatent:Paragraph0140-0141

[13]Patent:WO2015/196071,,A1,.Locationinpatent:Paragraph0406

[13]Patent:,2015,,.Locationinpatent:Paragraph0406

[15]Patent:WO2016/105468,2016,A1,.Locationinpatent:Paragraph0194

[16]Patent:WO2016/115090,2016,A1,.Locationinpatent:Paragraph0400

[17]Patent:WO2017/40606,2017,A1,.Locationinpatent:Paragraph0357

[18]Patent:WO2009/64835,2009,A1,.Locationinpatent:Page/Pagecolumn144-145

[19]Patent:US2009/233903,2009,A1,.Locationinpatent:Page/Pagecolumn51-52

[20]Patent:US2010/160356,2010,A1,.Locationinpatent:Page/Pagecolumn33-34

[21]Patent:US2017/50961,2017,A1,.Locationinpatent:Paragraph1061;1062;1063;1064

[22]JournaloftheAmericanChemicalSociety,1959,vol.81,p.2723,2725

[23]JournaloftheAmericanChemicalSociety,1971,vol.93,#1,p.110-120

[24]Patent:WO2008/147544,2008,A1,.Locationinpatent:Page/Pagecolumn103

[25]Patent:WO2008/147547,2008,A1,.Locationinpatent:Page/Pagecolumn136-137

[26]Patent:WO2009/64418,2009,A1,.Locationinpatent:Page/Pagecolumn78

[27]Patent:US2010/120774,2010,A1,.Locationinpatent:Page/Pagecolumn34-35

[28]Patent:WO2013/28670,2013,A1,.Locationinpatent:Page/Pagecolumn114,115

[29]Patent:US9181236,2015,B2,.Locationinpatent:Page/Pagecolumn139

[30]Patent:WO2016/24185,2016,A1,.Locationinpatent:Page/Pagecolumn119

339529-30-5    20249-16-5 

[1]Tetrahedron,2001,vol.57,#11,p.2221-2230

22020-87-7    27607-77-8    20249-16-5 

[1]Tetrahedron,2001,vol.57,#11,p.2221-2230

96042-30-7    20249-16-5 

[1]Patent:US2014/179638,2014,A1,.Locationinpatent:Page/Pagecolumn

22020-87-7    20249-16-5 

[1]Tetrahedron,2001,vol.57,#11,p.2221-2230

[2]Tetrahedron,2001,vol.57,#11,p.2221-2230

[3]Tetrahedron,2001,vol.57,#11,p.2221-2230

Downstream Synthesis Route
15760-35-7    20249-16-5 

[1]Patent:US2012/122843,2012,A1.Locationinpatent:Page/Pagecolumn39

[2]Patent:WO2015/179190,2015,A1.Locationinpatent:Paragraph0331

[3]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.3947-3953

[4]Patent:US2014/80803,2014,A1.Locationinpatent:Paragraph1262

[5]JournalofMedicinalChemistry,2016,vol.59,p.4926-4947

[6]Patent:WO2013/62964,2013,A2.Locationinpatent:Paragraph1265

[7]Patent:US2014/80803,2014,A1.Locationinpatent:Paragraph1133

[8]Patent:US2014/80803,2014,A1.Locationinpatent:Paragraph1154

[9]Patent:WO2011/31554,2011,A2.Locationinpatent:Page/Pagecolumn175

[10]SyntheticCommunications,2005,vol.35,p.657-662

[11]Patent:JP6557436,2019,B1.Locationinpatent:Paragraph0513;0514;0515

[12]Patent:WO2015/115673,2015,A1.Locationinpatent:Page/Pagecolumn88

[13]Patent:EP2738156,2014,A1.Locationinpatent:Paragraph0140-0141

[14]Patent:WO2015/196071,A1.Locationinpatent:Paragraph0406    Patent:,2015,.Locationinpatent:Paragraph0406

[15]Patent:WO2016/105468,2016,A1.Locationinpatent:Paragraph0194

[16]Patent:WO2016/115090,2016,A1.Locationinpatent:Paragraph0400

[17]Patent:WO2017/40606,2017,A1.Locationinpatent:Paragraph0357

[18]Patent:WO2009/64835,2009,A1.Locationinpatent:Page/Pagecolumn144-145

[19]Patent:US2009/233903,2009,A1.Locationinpatent:Page/Pagecolumn51-52

[20]Patent:US2010/160356,2010,A1.Locationinpatent:Page/Pagecolumn33-34

[21]Patent:US2017/50961,2017,A1.Locationinpatent:Paragraph1061;1062;1063;1064

[22]JournaloftheAmericanChemicalSociety,1959,vol.81,p.2723,2725

[23]JournaloftheAmericanChemicalSociety,1971,vol.93,p.110-120

[24]Patent:WO2008/147544,2008,A1.Locationinpatent:Page/Pagecolumn103

[25]Patent:WO2008/147547,2008,A1.Locationinpatent:Page/Pagecolumn136-137

[26]Patent:WO2009/64418,2009,A1.Locationinpatent:Page/Pagecolumn78

[27]Patent:US2010/120774,2010,A1.Locationinpatent:Page/Pagecolumn34-35

[28]Patent:WO2013/28670,2013,A1.Locationinpatent:Page/Pagecolumn114,115

[29]Patent:US9181236,2015,B2.Locationinpatent:Page/Pagecolumn139

[30]Patent:WO2016/24185,2016,A1.Locationinpatent:Page/Pagecolumn119

7677-24-9    20249-16-5    61035-57-2 

[1]JournalofOrganometallicChemistry,1976,vol.116,p.153-159

20249-16-5    3536-96-7    51934-03-3 

[1]JournalofOrganicChemistry,1974,vol.39,p.2862-2866

20249-16-5   
phenylmagnesiumbromide 
  30494-25-8 

[1]JournaloftheAmericanChemicalSociety,1971,vol.93,p.110-120

20249-16-5    27744-70-3 

[1]JournaloftheAmericanChemicalSociety,1971,vol.93,p.110-120

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