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Home Amines 58168-20-0
58168-20-0,MFCD00832845
Catalog No.:AA00IA9X

58168-20-0 | Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
98%
in stock  
$34.00   $24.00
- +
25g
>98.0%(GC)
in stock  
$77.00   $54.00
- +
100g
98%
in stock  
$236.00   $166.00
- +
500g
98%
in stock  
$668.00   $468.00
- +
  • 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:
AA00IA9X
Chemical Name:
Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
CAS Number:
58168-20-0
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
MDL Number:
MFCD00832845
SMILES:
CCOC(=O)Cc1c(sc(c1C#N)N)C(=O)OCC
Properties
Properties
 
BP:
469.6°C at 760 mmHg  
Form:
Solid  
MP:
134-139°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
392  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
2.2  

Upstream Synthesis Route

[1]HeteroatomChemistry,2007,vol.18,#3,p.236-238

[2]Patent:WO2013/113319,2013,A1,.Locationinpatent:Page/Pagecolumn6

[1]Patent:WO2011/124992,2011,A1,.Locationinpatent:Page/Pagecolumn19

[1]Patent:CN103804345,2017,B,.Locationinpatent:Paragraph0044;0047;0050

[2]HeteroatomChemistry,2007,vol.18,#3,p.236-238

[3]Patent:WO2011/124992,2011,A1,.Locationinpatent:Page/Pagecolumn19-20

[1]Patent:WO2013/113319,2013,A1,.Locationinpatent:Page/Pagecolumn7

Downstream Synthesis Route

[1]HeteroatomChemistry,2007,vol.18,p.236-238

[2]Patent:WO2013/113319,2013,A1.Locationinpatent:Page/Pagecolumn6

[1]Patent:CN103804345,2017,B.Locationinpatent:Paragraph0044;0047;0050

[2]HeteroatomChemistry,2007,vol.18,p.236-238

[3]Patent:WO2011/124992,2011,A1.Locationinpatent:Page/Pagecolumn19-20

58168-20-0    105-36-2   
diethyl3,6-bis((ethoxycarbonyl)methyl)-4-amino-6H-thieno2,3-bpyrrole-2,5-dicarboxylate 

[1]HeteroatomChemistry,2007,vol.18,p.236-238

58168-20-0   
diethyl3,6-bis((ethoxycarbonyl)methyl)-4-amino-6H-thieno2,3-bpyrrole-2,5-dicarboxylate 

[1]HeteroatomChemistry,2007,vol.18,p.236-238

[1]Patent:WO2011/124992,2011,A1.Locationinpatent:Page/Pagecolumn19

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:58168-20-0 Molecular Formula|58168-20-0 MDL|58168-20-0 SMILES|58168-20-0 Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate