55781-86-7,MFCD16620152
Catalog No.:AA00I9VJ

55781-86-7 | Methyl 3-methoxy-1-methyl-1h-pyrazole-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$206.00   $144.00
- +
1g
95%
in stock  
$439.00   $308.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I9VJ
Chemical Name:
Methyl 3-methoxy-1-methyl-1h-pyrazole-5-carboxylate
CAS Number:
55781-86-7
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD16620152
SMILES:
COc1cc(n(n1)C)C(=O)OC
Properties
Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Upstream Synthesis Route

[1]Patent:US2009/137595,2009,A1,

[2]Patent:EP2530078,2012,A1,.Locationinpatent:Page/Pagecolumn209

[1]Patent:EP2530078,2012,A1,

[1]Patent:EP2530078,2012,A1,.Locationinpatent:Page/Pagecolumn209-210

[2]Patent:US2009/137595,2009,A1,

Downstream Synthesis Route

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1726580,2006,A1Locationinpatent:Page/Pagecolumn83

[1]Patent:US2009/137595,2009,A1

[2]Patent:EP2530078,2012,A1.Locationinpatent:Page/Pagecolumn209

[1]Patent:EP2530078,2012,A1.Locationinpatent:Page/Pagecolumn209-210

[2]Patent:US2009/137595,2009,A1

Literature
Quotation Request
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Additional Info:
SDS
Tags:55781-86-7 Molecular Formula|55781-86-7 MDL|55781-86-7 SMILES|55781-86-7 Methyl 3-methoxy-1-methyl-1h-pyrazole-5-carboxylate
Catalog No.: AA00I9VJ
55781-86-7,MFCD16620152
55781-86-7 | Methyl 3-methoxy-1-methyl-1h-pyrazole-5-carboxylate
Pack Size: 250mg
Purity: 95%
in stock
$206.00 $144.00
Pack Size: 1g
Purity: 95%
in stock
$439.00 $308.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I9VJ
Chemical Name: Methyl 3-methoxy-1-methyl-1h-pyrazole-5-carboxylate
CAS Number: 55781-86-7
Molecular Formula: C7H10N2O3
Molecular Weight: 170.1659
MDL Number: MFCD16620152
SMILES: COc1cc(n(n1)C)C(=O)OC
Properties
Complexity: 174  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Upstream Synthesis Route
52867-42-2    74-88-4    55781-86-7 

[1]Patent:US2009/137595,2009,A1,

[2]Patent:EP2530078,2012,A1,.Locationinpatent:Page/Pagecolumn209

762-42-5    55781-86-7 

[1]Patent:EP2530078,2012,A1,

55781-86-7    126674-95-1 

[1]Patent:EP2530078,2012,A1,.Locationinpatent:Page/Pagecolumn209-210

[2]Patent:US2009/137595,2009,A1,

Downstream Synthesis Route
55781-86-7    865138-51-8 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1726580,2006,A1Locationinpatent:Page/Pagecolumn83

52867-42-2    74-88-4    55781-86-7 

[1]Patent:US2009/137595,2009,A1

[2]Patent:EP2530078,2012,A1.Locationinpatent:Page/Pagecolumn209

55781-86-7    126674-95-1 

[1]Patent:EP2530078,2012,A1.Locationinpatent:Page/Pagecolumn209-210

[2]Patent:US2009/137595,2009,A1

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