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468721-38-2,MFCD06738961
Catalog No.:AA00D89U

468721-38-2 | 3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$422.00   $295.00
- +
250mg
95%
in stock  
$682.00   $478.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D89U
Chemical Name:
3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number:
468721-38-2
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
MDL Number:
MFCD06738961
SMILES:
OC(=O)CCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
402  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Downstream Synthesis Route

[1]Micuch,Peter;Seebach,Dieter[HelveticaChimicaActa,2002,vol.85,#6,p.1567-1577]

[1]HelveticaChimicaActa,2002,vol.85,p.1567-1577

[1]Micuch,Peter;Seebach,Dieter[HelveticaChimicaActa,2002,vol.85,#6,p.1567-1577]

[2]Ishihara,Kazuaki;Nishimura,Kazuki;Yamakawa,Katsuya[AngewandteChemie-InternationalEdition,2020,vol.59,#40,p.17641-17647][Angew.Chem.,2020,vol.132,#40,p.17794-17800,7]

[1]Lee,Kyeong;Boovanahalli,ShanthaveerappaK.;Nam,Ky-Youb;Kang,Sang-Uk;Lee,Mijeoung;Phan,Jason;Wu,Li;Waugh,DavidS.;Zhang,Zhong-Yin;Kyoung,TaiNo;Jung,JunLee;BurkeJr.,TerrenceR.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#18,p.4037-4042]

[2]Ryzhakov,Dmytro;Jarret,Maxime;Guillot,Régis;Kouklovsky,Cyrille;Vincent,Guillaume[OrganicLetters,2017,vol.19,#23,p.6336-6339]

[3]Mei,Liangyong;Moutet,Jules;Stull,SavannahM.;Gianetti,ThomasL.[JournalofOrganicChemistry,2021,vol.86,#15,p.10640-10653]

[1]Lee,Kyeong;Boovanahalli,ShanthaveerappaK.;Nam,Ky-Youb;Kang,Sang-Uk;Lee,Mijeoung;Phan,Jason;Wu,Li;Waugh,DavidS.;Zhang,Zhong-Yin;Kyoung,TaiNo;Jung,JunLee;BurkeJr.,TerrenceR.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#18,p.4037-4042]

[2]Ryzhakov,Dmytro;Jarret,Maxime;Guillot,Régis;Kouklovsky,Cyrille;Vincent,Guillaume[OrganicLetters,2017,vol.19,#23,p.6336-6339]

[3]Mei,Liangyong;Moutet,Jules;Stull,SavannahM.;Gianetti,ThomasL.[JournalofOrganicChemistry,2021,vol.86,#15,p.10640-10653]

Literature
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SDS
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Tags:468721-38-2 Molecular Formula|468721-38-2 MDL|468721-38-2 SMILES|468721-38-2 3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Catalog No.: AA00D89U
468721-38-2,MFCD06738961
468721-38-2 | 3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Pack Size： 100mg
Purity： 95%
in stock
$422.00 $295.00
Pack Size： 250mg
Purity： 95%
in stock
$682.00 $478.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D89U
Chemical Name: 3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS Number: 468721-38-2
Molecular Formula: C16H19NO4
Molecular Weight: 289.3264
MDL Number: MFCD06738961
SMILES: OC(=O)CCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Form: Solid  
Complexity: 402  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Downstream Synthesis Route
17016-83-0    468721-38-2    468721-39-3 

[1]Micuch,Peter;Seebach,Dieter[HelveticaChimicaActa,2002,vol.85,#6,p.1567-1577]

184346-45-0    468721-38-2    468721-46-2 

[1]HelveticaChimicaActa,2002,vol.85,p.1567-1577

253605-13-9    468721-38-2 

[1]Micuch,Peter;Seebach,Dieter[HelveticaChimicaActa,2002,vol.85,#6,p.1567-1577]

[2]Ishihara,Kazuaki;Nishimura,Kazuki;Yamakawa,Katsuya[AngewandteChemie-InternationalEdition,2020,vol.59,#40,p.17641-17647][Angew.Chem.,2020,vol.132,#40,p.17794-17800,7]

945679-26-5    468721-38-2 

[1]Lee,Kyeong;Boovanahalli,ShanthaveerappaK.;Nam,Ky-Youb;Kang,Sang-Uk;Lee,Mijeoung;Phan,Jason;Wu,Li;Waugh,DavidS.;Zhang,Zhong-Yin;Kyoung,TaiNo;Jung,JunLee;BurkeJr.,TerrenceR.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#18,p.4037-4042]

[2]Ryzhakov,Dmytro;Jarret,Maxime;Guillot,Régis;Kouklovsky,Cyrille;Vincent,Guillaume[OrganicLetters,2017,vol.19,#23,p.6336-6339]

[3]Mei,Liangyong;Moutet,Jules;Stull,SavannahM.;Gianetti,ThomasL.[JournalofOrganicChemistry,2021,vol.86,#15,p.10640-10653]

40641-03-0    468721-38-2 

[1]Lee,Kyeong;Boovanahalli,ShanthaveerappaK.;Nam,Ky-Youb;Kang,Sang-Uk;Lee,Mijeoung;Phan,Jason;Wu,Li;Waugh,DavidS.;Zhang,Zhong-Yin;Kyoung,TaiNo;Jung,JunLee;BurkeJr.,TerrenceR.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#18,p.4037-4042]

[2]Ryzhakov,Dmytro;Jarret,Maxime;Guillot,Régis;Kouklovsky,Cyrille;Vincent,Guillaume[OrganicLetters,2017,vol.19,#23,p.6336-6339]

[3]Mei,Liangyong;Moutet,Jules;Stull,SavannahM.;Gianetti,ThomasL.[JournalofOrganicChemistry,2021,vol.86,#15,p.10640-10653]

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