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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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(HPLC)
in stock  
$24.00   $17.00
- +
5g
98%(HPLC)
in stock  
$34.00   $24.00
- +
25g
>97%
in stock  
$71.00   $50.00
- +
100g
98%
in stock  
$274.00   $192.00
- +
500g
98%
in stock  
$932.00 $653.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
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  
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:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
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
Quotation Request
Company Name:
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Additional Info:
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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
Catalog No.: AA003UG6
109010-60-8,MFCD03426719
109010-60-8 | (S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
Pack Size： 1g
Purity： 98%(HPLC)
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 98%(HPLC)
in stock
$34.00 $24.00
Pack Size： 25g
Purity： >97%
in stock
$71.00 $50.00
Pack Size： 100g
Purity： 98%
in stock
$274.00 $192.00
Pack Size： 500g
Purity： 98%
in stock
$932.00 $653.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
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
BP: 483.2°C at 760 mmHg  
Form: Solid  
MP: 115-116°C  
Solubility: DMSO: ~34 mg/mL, soluble  
Storage: Inert atmosphere;2-8℃;  
Complexity: 403  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
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: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Upstream Synthesis Route
86499-96-9    109010-60-8 

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

197658-51-8    109010-60-8 

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

107-59-5    197658-50-7    109010-60-8 

[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

109010-59-5    109010-60-8    86541-77-7 

[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

86499-96-9    109010-60-8 

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

197658-51-8    109010-60-8 

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

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