885500-55-0,MFCD15529249
Catalog No.:AA004CNE

885500-55-0 | Ethyl 4-chloro-1h-pyrrolo[2,3-b]pyridine-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$23.00   $16.00
- +
1g
97%
in stock  
$154.00   $108.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004CNE
Chemical Name:
Ethyl 4-chloro-1h-pyrrolo[2,3-b]pyridine-5-carboxylate
CAS Number:
885500-55-0
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD15529249
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cc[nH]2
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
250  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Upstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,2015,vol.63,#5,p.341-353

[1]Patent:WO2006/46024,2006,A1,.Locationinpatent:Page/Pagecolumn164

[2]Patent:WO2007/125321,2007,A2,.Locationinpatent:Page/Pagecolumn157-158

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,#3,p.693-698

[2]Patent:WO2007/7919,2007,A2,.Locationinpatent:Page/Pagecolumn49-50

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,#3,p.693-698

[1]ChemicalandPharmaceuticalBulletin,2015,vol.63,#5,p.341-353

Downstream Synthesis Route
885500-55-0   
4-(4-chlorobenzyl)-piperidin-4-ylaminehydrochloride 
  885500-63-0 

[1]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn169-170

885500-55-0   
4-(4-tert-butyl-benzyl)-piperidin-4-ylaminehydrochloride 
  885500-64-1 

[1]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn170-171

[1]Patent:WO2006/46024,2006,A1.Locationinpatent:Page/Pagecolumn165

[2]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn158-159

[1]Patent:WO2006/46024,2006,A1.Locationinpatent:Page/Pagecolumn164

[2]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn157-158

885500-55-0    2516-34-9   
C14H17N3O2 

[1]Patent:WO2007/7919,2007,A2.Locationinpatent:Page/Pagecolumn178-179

Literature
Quotation Request
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Additional Info:
SDS
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Tags:885500-55-0 Molecular Formula|885500-55-0 MDL|885500-55-0 SMILES|885500-55-0 Ethyl 4-chloro-1h-pyrrolo[2,3-b]pyridine-5-carboxylate
Catalog No.: AA004CNE
885500-55-0,MFCD15529249
885500-55-0 | Ethyl 4-chloro-1h-pyrrolo[2,3-b]pyridine-5-carboxylate
Pack Size: 100mg
Purity: 97%
in stock
$23.00 $16.00
Pack Size: 1g
Purity: 97%
in stock
$154.00 $108.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004CNE
Chemical Name: Ethyl 4-chloro-1h-pyrrolo[2,3-b]pyridine-5-carboxylate
CAS Number: 885500-55-0
Molecular Formula: C10H9ClN2O2
Molecular Weight: 224.6437
MDL Number: MFCD15529249
SMILES: CCOC(=O)c1cnc2c(c1Cl)cc[nH]2
Properties
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 250  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Upstream Synthesis Route
541-41-3    651744-48-8    885500-55-0 

[1]ChemicalandPharmaceuticalBulletin,2015,vol.63,#5,p.341-353

885500-70-9    885500-55-0 

[1]Patent:WO2006/46024,2006,A1,.Locationinpatent:Page/Pagecolumn164

[2]Patent:WO2007/125321,2007,A2,.Locationinpatent:Page/Pagecolumn157-158

1310704-15-4    885500-55-0 

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,#3,p.693-698

[2]Patent:WO2007/7919,2007,A2,.Locationinpatent:Page/Pagecolumn49-50

651744-48-8    885500-55-0 

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,#3,p.693-698

55052-28-3    885500-55-0 

[1]ChemicalandPharmaceuticalBulletin,2015,vol.63,#5,p.341-353

Downstream Synthesis Route
885500-55-0   
4-(4-chlorobenzyl)-piperidin-4-ylaminehydrochloride 
  885500-63-0 

[1]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn169-170

885500-55-0   
4-(4-tert-butyl-benzyl)-piperidin-4-ylaminehydrochloride 
  885500-64-1 

[1]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn170-171

885500-55-0    885500-71-0    885500-56-1 

[1]Patent:WO2006/46024,2006,A1.Locationinpatent:Page/Pagecolumn165

[2]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn158-159

885500-70-9    885500-55-0 

[1]Patent:WO2006/46024,2006,A1.Locationinpatent:Page/Pagecolumn164

[2]Patent:WO2007/125321,2007,A2.Locationinpatent:Page/Pagecolumn157-158

885500-55-0    2516-34-9   
C14H17N3O2 

[1]Patent:WO2007/7919,2007,A2.Locationinpatent:Page/Pagecolumn178-179

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