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365996-87-8,MFCD09839781
Catalog No.:AA00BYEP

365996-87-8 | tert-Butyl 2-(methylsulfonyl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$14.00   $10.00
- +
250mg
97%
in stock  
$33.00   $23.00
- +
1g
97%
in stock  
$108.00   $76.00
- +
5g
97%
in stock  
$402.00   $282.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BYEP
Chemical Name:
tert-Butyl 2-(methylsulfonyl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
CAS Number:
365996-87-8
Molecular Formula:
C12H17N3O4S
Molecular Weight:
299.3461
MDL Number:
MFCD09839781
SMILES:
O=C(N1Cc2c(C1)nc(nc2)S(=O)(=O)C)OC(C)(C)C
Properties
Properties
 
BP:
481.2°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
480  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.1  

Upstream Synthesis Route

[1]Patent:EP1577301,2005,A1,.Locationinpatent:Page/Pagecolumn91

[2]Patent:EP1270557,2003,A1,

[3]Patent:EP1405852,2004,A1,.Locationinpatent:Page83

[4]Patent:EP1577302,2005,A1,.Locationinpatent:Page/Pagecolumn9

[5]Patent:WO2006/127530,2006,A2,.Locationinpatent:Page/Pagecolumn42

[1]Patent:WO2006/127530,2006,A2,

[1]Patent:WO2006/127530,2006,A2,

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Country:
Additional Info:
Submit
SDS
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Tags:365996-87-8 Molecular Formula|365996-87-8 MDL|365996-87-8 SMILES|365996-87-8 tert-Butyl 2-(methylsulfonyl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
Catalog No.: AA00BYEP
365996-87-8,MFCD09839781
365996-87-8 | tert-Butyl 2-(methylsulfonyl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
Pack Size： 100mg
Purity： 97%
in stock
$14.00 $10.00
Pack Size： 250mg
Purity： 97%
in stock
$33.00 $23.00
Pack Size： 1g
Purity： 97%
in stock
$108.00 $76.00
Pack Size： 5g
Purity： 97%
in stock
$402.00 $282.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BYEP
Chemical Name: tert-Butyl 2-(methylsulfonyl)-5h-pyrrolo[3,4-d]pyrimidine-6(7h)-carboxylate
CAS Number: 365996-87-8
Molecular Formula: C12H17N3O4S
Molecular Weight: 299.3461
MDL Number: MFCD09839781
SMILES: O=C(N1Cc2c(C1)nc(nc2)S(=O)(=O)C)OC(C)(C)C
Properties
BP: 481.2°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 480  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.1  
Upstream Synthesis Route
365996-86-7    365996-87-8 

[1]Patent:EP1577301,2005,A1,.Locationinpatent:Page/Pagecolumn91

[2]Patent:EP1270557,2003,A1,

[3]Patent:EP1405852,2004,A1,.Locationinpatent:Page83

[4]Patent:EP1577302,2005,A1,.Locationinpatent:Page/Pagecolumn9

[5]Patent:WO2006/127530,2006,A2,.Locationinpatent:Page/Pagecolumn42

905274-02-4    365996-87-8 

[1]Patent:WO2006/127530,2006,A2,

101385-93-7    365996-87-8 

[1]Patent:WO2006/127530,2006,A2,

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