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109523-13-9,MFCD09750486
Catalog No.:AA007SXI

109523-13-9 | Boc-(2s,3as,7as)-octahydro-1H-indole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$11.00   $8.00
- +
5g
95%
in stock  
$33.00   $23.00
- +
10g
95%
in stock  
$53.00   $37.00
- +
25g
95%
in stock  
$132.00   $92.00
- +
100g
95%
in stock  
$524.00   $367.00
- +
  • 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:
AA007SXI
Chemical Name:
Boc-(2s,3as,7as)-octahydro-1H-indole-2-carboxylic acid
CAS Number:
109523-13-9
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
MDL Number:
MFCD09750486
SMILES:
OC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OC(C)(C)C)CCCC2
Properties
Computed Properties
 
Complexity:
374  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Upstream Synthesis Route

[1]Patent:CN106083829,2016,A,.Locationinpatent:Paragraph0061;0065;0067;0068

[2]Patent:WO2004/92132,2004,A1,.Locationinpatent:Page85

[3]EuropeanJournalofOrganicChemistry,2008,#5,p.934-940

[4]Patent:WO2004/92132,2004,A1,.Locationinpatent:Page80-81

[5]BioorganicandMedicinalChemistry,2014,vol.22,#23,p.6684-6693

[6]JournalofMedicinalChemistry,1996,vol.39,#12,p.2379-2391

[7]Patent:US2012/302538,2012,A1,.Locationinpatent:Page/Pagecolumn17

[8]Patent:WO2018/64585,2018,A1,.Locationinpatent:Page/Pagecolumn28;29

[1]TetrahedronAsymmetry,2007,vol.18,#19,p.2358-2364

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3480-3485

[1]TetrahedronAsymmetry,2007,vol.18,#19,p.2358-2364

[2]BioorganicandMedicinalChemistryLetters,2007,vol.17,#12,p.3480-3485

[1]TetrahedronAsymmetry,2007,vol.18,#19,p.2358-2364

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2014,vol.22,p.6684-6693

[2]Patent:WO2007/2842,2007,A2.Locationinpatent:Page/Pagecolumn30-31

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3480-3485

109523-13-9   
benzylamino4-(aminomethyl)phenylmethylenecarbamate 
  945405-64-1 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3480-3485

[1]TetrahedronAsymmetry,2007,vol.18,p.2358-2364

(+/-)-benzyl(2S,3aS,7aS)-octahydroindole-2-carboxylatep-toluenesulfonicacidsalt 
  109523-13-9 

[1]TetrahedronAsymmetry,2007,vol.18,p.2358-2364

Literature
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SDS
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Tags:109523-13-9 Molecular Formula|109523-13-9 MDL|109523-13-9 SMILES|109523-13-9 Boc-(2s,3as,7as)-octahydro-1H-indole-2-carboxylic acid