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58816-66-3,MFCD08275409
Catalog No.:AA00EANW

58816-66-3 | H-4-Nitro-phe-oet hcl

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$18.00   $13.00
- +
25g
95%
in stock  
$48.00   $34.00
- +
100g
98%
in stock  
$97.00   $68.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EANW
Chemical Name:
H-4-Nitro-phe-oet hcl
CAS Number:
58816-66-3
Molecular Formula:
C11H15ClN2O4
Molecular Weight:
274.7008
MDL Number:
MFCD08275409
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N.Cl
Properties
Properties
 
BP:
372.1°C at 760 mmHg  
Form:
Solid  
MP:
177-180℃  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  

Upstream Synthesis Route

[1]Patent:WO2004/7428,2004,A1,.Locationinpatent:Page45

[2]Patent:WO2004/7428,2004,A1,.Locationinpatent:Page47

[3]Patent:WO2004/7428,2004,A1,.Locationinpatent:Page45-46

[1]Patent:WO2006/115918,2006,A2,.Locationinpatent:Page/Pagecolumn17

[1]Patent:WO2005/87760,2005,A1,.Locationinpatent:Page/Pagecolumn18

[1]JournalofMedicinalChemistry,1997,vol.40,#11,p.1726-1730

Downstream Synthesis Route

[1]Kupczyk-Subotkowska,Lidia;Siahaan,TerunaJ.;Basile,AnthonyS.;Friedman,HenryS.;Higgins,PatriciaE.;Song,Di;Gallo,JamesM.[JournalofMedicinalChemistry,1997,vol.40,#11,p.1726-1730]

[2]CurrentPatentAssignee:MERCK&COINC-WO2005/87760,2005,A1Locationinpatent:Page/Pagecolumn18

[1]JournalofMedicinalChemistry,1997,vol.40,p.1726-1730

[1]CurrentPatentAssignee:BIOGENIDECINC.-US2002/55509,2002,A1

[2]CurrentPatentAssignee:BIOGENIDECINC.-US2002/86882,2002,A1

[3]CurrentPatentAssignee:UCB-US6348463,2002,B1Locationinpatent:Pagecolumn37

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.4146-4149

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:58816-66-3 Molecular Formula|58816-66-3 MDL|58816-66-3 SMILES|58816-66-3 H-4-Nitro-phe-oet hcl
Catalog No.: AA00EANW
58816-66-3,MFCD08275409
58816-66-3 | H-4-Nitro-phe-oet hcl
Pack Size： 5g
Purity： 95%
in stock
$18.00 $13.00
Pack Size： 25g
Purity： 95%
in stock
$48.00 $34.00
Pack Size： 100g
Purity： 98%
in stock
$97.00 $68.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00EANW
Chemical Name: H-4-Nitro-phe-oet hcl
CAS Number: 58816-66-3
Molecular Formula: C11H15ClN2O4
Molecular Weight: 274.7008
MDL Number: MFCD08275409
SMILES: CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N.Cl
Properties
BP: 372.1°C at 760 mmHg  
Form: Solid  
MP: 177-180℃  
Storage: Inert atmosphere;2-8℃;  
Complexity: 269  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 1  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 5  
Upstream Synthesis Route
58816-66-3    34276-53-4 

[1]Patent:WO2004/7428,2004,A1,.Locationinpatent:Page45

[2]Patent:WO2004/7428,2004,A1,.Locationinpatent:Page47

[3]Patent:WO2004/7428,2004,A1,.Locationinpatent:Page45-46

949-99-5    58816-66-3 

[1]Patent:WO2006/115918,2006,A2,.Locationinpatent:Page/Pagecolumn17

64-17-5    949-99-5    58816-66-3 

[1]Patent:WO2005/87760,2005,A1,.Locationinpatent:Page/Pagecolumn18

58816-66-3    67630-01-7 

[1]JournalofMedicinalChemistry,1997,vol.40,#11,p.1726-1730

Downstream Synthesis Route
24424-99-5    58816-66-3    67630-00-6 

[1]Kupczyk-Subotkowska,Lidia;Siahaan,TerunaJ.;Basile,AnthonyS.;Friedman,HenryS.;Higgins,PatriciaE.;Song,Di;Gallo,JamesM.[JournalofMedicinalChemistry,1997,vol.40,#11,p.1726-1730]

[2]CurrentPatentAssignee:MERCK&COINC-WO2005/87760,2005,A1Locationinpatent:Page/Pagecolumn18

58816-66-3    67630-01-7 

[1]JournalofMedicinalChemistry,1997,vol.40,p.1726-1730

3140-73-6    58816-66-3    263274-93-7 

[1]CurrentPatentAssignee:BIOGENIDECINC.-US2002/55509,2002,A1

[2]CurrentPatentAssignee:BIOGENIDECINC.-US2002/86882,2002,A1

[3]CurrentPatentAssignee:UCB-US6348463,2002,B1Locationinpatent:Pagecolumn37

58816-66-3    455264-97-8    644995-08-4 

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.4146-4149

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