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916791-97-4,MFCD00173782
Catalog No.:AA003Q3G

916791-97-4 | Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
2 weeks  
$104.00   $73.00
- +
250mg
2 weeks  
$193.00   $135.00
- +
1g
2 weeks  
$550.00   $385.00
- +
5g
2 weeks  
$1,800.00   $1,260.00
- +
10g
2 weeks  
$2,991.00   $2,094.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q3G
Chemical Name:
Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
CAS Number:
916791-97-4
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD00173782
SMILES:
CCOC(=O)c1[nH]nc(c1)C(C)(C)C
Properties
Properties
 
BP:
322.3°C at 760 mmHg  
Form:
Solid  
MP:
141-144°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
211  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Lee,Sunho;Kim,Changhoon;Ann,Jihyae;Thorat,ShivajiA.;Kim,Eunhye;Park,Jongmi;Choi,Sun;Blumberg,PeterM.;Frank-Foltyn,Robert;Bahrenberg,Gregor;Stockhausen,Hannelore;Christoph,Thomas;Lee,Jeewoo[BioorganicandMedicinalChemistryLetters,2017,vol.27,#18,p.4383-4388]

Literature
Quotation Request
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SDS
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Tags:916791-97-4 Molecular Formula|916791-97-4 MDL|916791-97-4 SMILES|916791-97-4 Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
Catalog No.: AA003Q3G
916791-97-4,MFCD00173782
916791-97-4 | Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
Pack Size： 100mg
Purity：
2 weeks
$104.00 $73.00
Pack Size： 250mg
Purity：
2 weeks
$193.00 $135.00
Pack Size： 1g
Purity：
2 weeks
$550.00 $385.00
Pack Size： 5g
Purity：
2 weeks
$1,800.00 $1,260.00
Pack Size： 10g
Purity：
2 weeks
$2,991.00 $2,094.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003Q3G
Chemical Name: Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
CAS Number: 916791-97-4
Molecular Formula: C10H16N2O2
Molecular Weight: 196.2462
MDL Number: MFCD00173782
SMILES: CCOC(=O)c1[nH]nc(c1)C(C)(C)C
Properties
BP: 322.3°C at 760 mmHg  
Form: Solid  
MP: 141-144°C  
Storage: Keep in dry area;2-8℃;  
Complexity: 211  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
916791-97-4    936940-66-8 

[1]Lee,Sunho;Kim,Changhoon;Ann,Jihyae;Thorat,ShivajiA.;Kim,Eunhye;Park,Jongmi;Choi,Sun;Blumberg,PeterM.;Frank-Foltyn,Robert;Bahrenberg,Gregor;Stockhausen,Hannelore;Christoph,Thomas;Lee,Jeewoo[BioorganicandMedicinalChemistryLetters,2017,vol.27,#18,p.4383-4388]

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