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159991-07-8,MFCD11973767
Catalog No.:AA001RI4

159991-07-8 | (4As,7as)-tert-butyl octahydro-1h-pyrrolo[3,4-b]pyridine-1-carboxylate

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Purity
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100mg
95%
in stock  
$146.00   $102.00
- +
250mg
95%
in stock  
$184.00   $129.00
- +
500mg
95%
in stock  
$327.00   $229.00
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1g
95%
in stock  
$386.00   $270.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001RI4
Chemical Name:
(4As,7as)-tert-butyl octahydro-1h-pyrrolo[3,4-b]pyridine-1-carboxylate
CAS Number:
159991-07-8
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD11973767
SMILES:
O=C(N1CCC[C@@H]2[C@H]1CNC2)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
273  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Upstream Synthesis Route

[1]Patent:EP1767536,2007,A1,.Locationinpatent:Page/Pagecolumn10

[2]Patent:US5654318,1997,A,

[3]Patent:WO2010/39947,2010,A1,.Locationinpatent:Page/Pagecolumn88

[4]Patent:US2011/230459,2011,A1,.Locationinpatent:Page/Pagecolumn18

[1]Patent:US2011/230459,2011,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1996,vol.39,p.3070-3088

100986-89-8    159991-07-8   
UIKRM-1-033 

[1]AntimicrobialAgentsandChemotherapy,2000,vol.44,p.2126-2129

159991-07-8   
tert-butylcis-6-(6-chloro-3-pyridinyl)octahydro-1H-pyrrolo3.4-bpyridine-1-carboxylate 

[1]Patent:US2002/19388,2002,A1

[1]Patent:US5654318,1997,A

[1]Patent:EP1767536,2007,A1.Locationinpatent:Page/Pagecolumn10

[2]Patent:US5654318,1997,A

[3]Patent:WO2010/39947,2010,A1.Locationinpatent:Page/Pagecolumn88

[4]Patent:US2011/230459,2011,A1.Locationinpatent:Page/Pagecolumn18

Literature
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SDS
Tags:159991-07-8 Molecular Formula|159991-07-8 MDL|159991-07-8 SMILES|159991-07-8 (4As,7as)-tert-butyl octahydro-1h-pyrrolo[3,4-b]pyridine-1-carboxylate