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21908-08-7,MFCD13659319
Catalog No.:AA006YM9

21908-08-7 | Ethyl 2-formylisonicotinate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$11.00   $8.00
- +
250mg
95%
in stock  
$24.00   $17.00
- +
1g
95%
in stock  
$80.00   $56.00
- +
5g
95%
in stock  
$384.00   $269.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006YM9
Chemical Name:
Ethyl 2-formylisonicotinate
CAS Number:
21908-08-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD13659319
SMILES:
CCOC(=O)c1ccnc(c1)C=O
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2012,vol.55,#21,p.9346-9361,16

[2]Patent:WO2016/130396,2016,A1,.Locationinpatent:Paragraph0090;0093;0094

[3]JournalofMedicinalChemistry,2016,vol.59,#4,p.1388-1409

[4]CollectionofCzechoslovakChemicalCommunications,1998,vol.63,#2,p.199-204

[1]JournalofMedicinalChemistry,2012,vol.55,#21,p.9346-9361,16

[1]JournalofMedicinalChemistry,2016,vol.59,#4,p.1388-1409

[2]Patent:WO2016/130396,2016,A1,

[1]JournalofMedicinalChemistry,2012,vol.55,#21,p.9346-9361,16

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2012,vol.55,p.9346-9361,16

[2]Patent:WO2016/130396,2016,A1.Locationinpatent:Paragraph0090;0093;0094

[3]Organicprocessresearchanddevelopment,2020

[4]JournalofMedicinalChemistry,2016,vol.59,p.1388-1409

[5]CollectionofCzechoslovakChemicalCommunications,1998,vol.63,p.199-204

[6]Patent:WO2020/33377,2020,A1.Locationinpatent:Paragraph00355;00357

[1]JournalofMedicinalChemistry,2012,vol.55,p.9346-9361,16

[1]CurrentPatentAssignee:NANKAIUNIVERSITY-CN109970795,2019,ALocationinpatent:Paragraph0036-0039

41438-38-4    6220-65-1   
ethyl2-(hydroxymethyl)pyridine-4-carboxylate 
  212914-74-4    21908-08-7 

[1]Organicprocessresearchanddevelopment,2020

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:21908-08-7 Molecular Formula|21908-08-7 MDL|21908-08-7 SMILES|21908-08-7 Ethyl 2-formylisonicotinate
Catalog No.: AA006YM9
21908-08-7,MFCD13659319
21908-08-7 | Ethyl 2-formylisonicotinate
Pack Size： 100mg
Purity： 95%
in stock
$11.00 $8.00
Pack Size： 250mg
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 1g
Purity： 95%
in stock
$80.00 $56.00
Pack Size： 5g
Purity： 95%
in stock
$384.00 $269.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006YM9
Chemical Name: Ethyl 2-formylisonicotinate
CAS Number: 21908-08-7
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727
MDL Number: MFCD13659319
SMILES: CCOC(=O)c1ccnc(c1)C=O
Properties
Complexity: 193  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Upstream Synthesis Route
41438-38-4    21908-08-7 

[1]JournalofMedicinalChemistry,2012,vol.55,#21,p.9346-9361,16

[2]Patent:WO2016/130396,2016,A1,.Locationinpatent:Paragraph0090;0093;0094

[3]JournalofMedicinalChemistry,2016,vol.59,#4,p.1388-1409

[4]CollectionofCzechoslovakChemicalCommunications,1998,vol.63,#2,p.199-204

207671-42-9    21908-08-7 

[1]JournalofMedicinalChemistry,2012,vol.55,#21,p.9346-9361,16

499-80-9    21908-08-7 

[1]JournalofMedicinalChemistry,2016,vol.59,#4,p.1388-1409

[2]Patent:WO2016/130396,2016,A1,

21908-08-7    1227163-84-9 

[1]JournalofMedicinalChemistry,2012,vol.55,#21,p.9346-9361,16

Downstream Synthesis Route
41438-38-4    21908-08-7 

[1]JournalofMedicinalChemistry,2012,vol.55,p.9346-9361,16

[2]Patent:WO2016/130396,2016,A1.Locationinpatent:Paragraph0090;0093;0094

[3]Organicprocessresearchanddevelopment,2020

[4]JournalofMedicinalChemistry,2016,vol.59,p.1388-1409

[5]CollectionofCzechoslovakChemicalCommunications,1998,vol.63,p.199-204

[6]Patent:WO2020/33377,2020,A1.Locationinpatent:Paragraph00355;00357

21908-08-7    1227163-84-9 

[1]JournalofMedicinalChemistry,2012,vol.55,p.9346-9361,16

1219025-18-9    21908-08-7    2362570-84-9 

[1]CurrentPatentAssignee:NANKAIUNIVERSITY-CN109970795,2019,ALocationinpatent:Paragraph0036-0039

41438-38-4    6220-65-1   
ethyl2-(hydroxymethyl)pyridine-4-carboxylate 
  212914-74-4    21908-08-7 

[1]Organicprocessresearchanddevelopment,2020

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