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Home Amines 109010-60-8
109010-60-8,MFCD03426719
Catalog No.:AA003UG6

109010-60-8 | (S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate

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1g
97%
in stock  
$7.00   $5.00
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10g
97%
in stock  
$32.00   $22.00
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25g
97%
in stock  
$62.00   $43.00
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100g
97%
in stock  
$238.00   $167.00
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500g
98%
in stock  
$976.00   $683.00
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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:
AA003UG6
Chemical Name:
(S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
CAS Number:
109010-60-8
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD03426719
SMILES:
O=C(OC(C)(C)C)CN1C(=O)[C@@H](N)CCc2c1cccc2
Properties
Properties
 
BP:
483.2°C at 760 mmHg  
Form:
Solid  
MP:
115-116°C  
Solubility:
DMSO: ~34 mg/mL, soluble  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
403  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.7  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,1997,vol.62,#23,p.8271-8272

[1]JournalofOrganicChemistry,1997,vol.62,#23,p.8271-8272

[1]JournalofOrganicChemistry,1997,vol.62,#23,p.8271-8272

Downstream Synthesis Route
58881-45-1    109010-60-8   
1-(tert-butoxycarbonylmethyl)-3(S)-<(2-indolylcarbonyl)amino>-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one 

[1]JournalofMedicinalChemistry,1989,vol.32,p.1681-1685

[1]HelveticaChimicaActa,1988,vol.71,p.337-343

(S)-1-t-butyloxycarbonylmethyl-3-amino-2,3,4,5-tetrahydro-1H-1benzazepin-2-onetartratesalt 
  109010-60-8 

[1]HelveticaChimicaActa,1988,vol.71,p.337-343

[2]Patent:WO2005/9972,2005,A2.Locationinpatent:Page/Pagecolumn16

[1]JournalofOrganicChemistry,1997,vol.62,p.8271-8272

[1]JournalofOrganicChemistry,1997,vol.62,p.8271-8272

Literature
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SDS
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Tags:109010-60-8 Molecular Formula|109010-60-8 MDL|109010-60-8 SMILES|109010-60-8 (S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate