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2436-15-9,MFCD00022730
Catalog No.:AA003EUW

2436-15-9 | 5-Benzyloxyindole-3-acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$48.00   $34.00
- +
5g
98%
in stock  
$143.00   $100.00
- +
25g
98%
in stock  
$610.00 $427.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003EUW
Chemical Name:
5-Benzyloxyindole-3-acetonitrile
CAS Number:
2436-15-9
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
MDL Number:
MFCD00022730
SMILES:
N#CCc1c[nH]c2c1cc(OCc1ccccc1)cc2
NSC Number:
73391
Properties
Properties
 
BP:
502.3°C at 760 mmHg  
Form:
Solid  
MP:
76-80 °C(lit.);  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
355  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Markl,Christian;Clafshenkel,WilliamP.;Attia,MohamedI.;Sethi,Shalini;Witt-Enderby,PaulaA.;Zlotos,DariusP.[ArchivderPharmazie,2011,vol.344,#10,p.666-674]

[2]CurrentPatentAssignee:ARTEREZ-WO2021/62298,2021,A1

[3]Winand,Lea;Schneider,Pascal;Kruth,Sebastian;Greven,Nico-Joel;Hiller,Wolf;Kaiser,Marcel;Pietruszka,Jörg;Nett,Markus[OrganicLetters,2021,vol.23,#16,p.6563-6567]

[4]Schneider,Pascal;Henßen,Birgit;Paschold,Beatrix;Chapple,BenjaminP.;Schatton,Marcel;Seebeck,FlorianP.;Classen,Thomas;Pietruszka,Jörg[AngewandteChemie-InternationalEdition,2021,vol.60,#43,p.23412-23418][Angew.Chem.,2021,vol.133,#43,p.23600-23606]

[1]Locationinpatent:experimentalpartMarkl,Christian;Clafshenkel,WilliamP.;Attia,MohamedI.;Sethi,Shalini;Witt-Enderby,PaulaA.;Zlotos,DariusP.[ArchivderPharmazie,2011,vol.344,#10,p.666-674]

Literature

Title: 5-benzyloxytryptamine as an antagonist of TRPM8.

Journal: Bioorganic & medicinal chemistry letters 20101201

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Tags:2436-15-9 Molecular Formula|2436-15-9 MDL|2436-15-9 SMILES|2436-15-9 5-Benzyloxyindole-3-acetonitrile
Catalog No.: AA003EUW
2436-15-9,MFCD00022730
2436-15-9 | 5-Benzyloxyindole-3-acetonitrile
Pack Size： 1g
Purity： 98%
in stock
$48.00 $34.00
Pack Size： 5g
Purity： 98%
in stock
$143.00 $100.00
Pack Size： 25g
Purity： 98%
in stock
$610.00 $427.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003EUW
Chemical Name: 5-Benzyloxyindole-3-acetonitrile
CAS Number: 2436-15-9
Molecular Formula: C17H14N2O
Molecular Weight: 262.3059
MDL Number: MFCD00022730
SMILES: N#CCc1c[nH]c2c1cc(OCc1ccccc1)cc2
NSC Number: 73391
Properties
BP: 502.3°C at 760 mmHg  
Form: Solid  
MP: 76-80 °C(lit.);  
Storage: Keep in dry area;2-8℃;  
Complexity: 355  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
2436-15-9    1210-83-9 

[1]Markl,Christian;Clafshenkel,WilliamP.;Attia,MohamedI.;Sethi,Shalini;Witt-Enderby,PaulaA.;Zlotos,DariusP.[ArchivderPharmazie,2011,vol.344,#10,p.666-674]

[2]CurrentPatentAssignee:ARTEREZ-WO2021/62298,2021,A1

[3]Winand,Lea;Schneider,Pascal;Kruth,Sebastian;Greven,Nico-Joel;Hiller,Wolf;Kaiser,Marcel;Pietruszka,Jörg;Nett,Markus[OrganicLetters,2021,vol.23,#16,p.6563-6567]

[4]Schneider,Pascal;Henßen,Birgit;Paschold,Beatrix;Chapple,BenjaminP.;Schatton,Marcel;Seebeck,FlorianP.;Classen,Thomas;Pietruszka,Jörg[AngewandteChemie-InternationalEdition,2021,vol.60,#43,p.23412-23418][Angew.Chem.,2021,vol.133,#43,p.23600-23606]

2436-15-9    108-24-7    1210-83-9 

[1]Locationinpatent:experimentalpartMarkl,Christian;Clafshenkel,WilliamP.;Attia,MohamedI.;Sethi,Shalini;Witt-Enderby,PaulaA.;Zlotos,DariusP.[ArchivderPharmazie,2011,vol.344,#10,p.666-674]

Literature fold

Title: 5-benzyloxytryptamine as an antagonist of TRPM8.

Journal: Bioorganic & medicinal chemistry letters20101201

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