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149353-71-9,MFCD08234862
Catalog No.:AA00ANJ0

149353-71-9 | 2-(tert-Butoxycarbonyl)isoindoline-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$107.00   $75.00
- +
1g
95%
in stock  
$583.00   $408.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ANJ0
Chemical Name:
2-(tert-Butoxycarbonyl)isoindoline-5-carboxylic acid
CAS Number:
149353-71-9
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
MDL Number:
MFCD08234862
SMILES:
O=C(N1Cc2c(C1)ccc(c2)C(=O)O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
374  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP3192791,2017,A1Locationinpatent:Paragraph0601

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/37788,2004,A1Locationinpatent:Page15

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/37788,2004,A1Locationinpatent:Page16

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/37788,2004,A1Locationinpatent:Page16

[1]Veerman,JohanJ.N.;Bruseker,YorikB.;Damen,Eddy;Heijne,ErikH.;VanBruggen,Wendy;Hekking,KoenF.W.;Winkel,Rob;Hupp,ChristopherD.;Keefe,AnthonyD.;Liu,Julie;Thomson,HeatherA.;Zhang,Ying;Cuozzo,JohnW.;McRiner,AndrewJ.;Mulvihill,MarkJ.;VanRijnsbergen,Peter;Zech,Birgit;Renzetti,LouisM.;Babiss,Lee;Müller,Gerhard[ACSMedicinalChemistryLetters,2021,vol.12,#4,p.555-562]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/37788,2004,A1Locationinpatent:Page15

2,3-dihydro-1H-isoindole-5-carboxylicacidhydrochloride 
  7487-88-9    149353-71-9 

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US5455348,1995,A

Literature
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SDS
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Tags:149353-71-9 Molecular Formula|149353-71-9 MDL|149353-71-9 SMILES|149353-71-9 2-(tert-Butoxycarbonyl)isoindoline-5-carboxylic acid