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761446-45-1,MFCD03789252
Catalog No.:AA003DWJ

761446-45-1 | 1-Benzylpyrazole-4-boronic acid, pinacol ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$17.00   $12.00
- +
5g
97%
in stock  
$25.00   $18.00
- +
10g
97%
in stock  
$49.00   $34.00
- +
25g
97%
in stock  
$121.00   $85.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003DWJ
Chemical Name:
1-Benzylpyrazole-4-boronic acid, pinacol ester
CAS Number:
761446-45-1
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD03789252
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)Cc1ccccc1
Properties
Properties
 
BP:
427.9°C at 760 mmHg  
Form:
Solid  
MP:
86-90 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
353  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Upstream Synthesis Route

[1]Patent:US2018/296543,2018,A1,.Locationinpatent:Paragraph0573;0574;0600

[2]Patent:WO2015/95767,2015,A1,.Locationinpatent:Page/Pagecolumn284;285

[3]Patent:WO2016/124508,2016,A1,.Locationinpatent:Page/Pagecolumn55

[4]JournalofMedicinalChemistry,2016,vol.59,#4,p.1370-1387

[5]Patent:WO2014/60395,2014,A1,.Locationinpatent:Page/Pagecolumn35

[1]Patent:US8080566,2011,B1,.Locationinpatent:Page/Pagecolumn57

[2]Patent:WO2016/615,2016,A1,.Locationinpatent:Paragraph00556

[1]ChemicalScience,2015,vol.6,#5,p.2943-2951

[1]OrganicandBiomolecularChemistry,2011,vol.9,#9,p.3139-3141

[1]Patent:US8080566,2011,B1,

[2]Patent:WO2016/615,2016,A1,

Downstream Synthesis Route
1000793-42-9    761446-45-1   
2-6-(1-benzyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo1,4oxazin-4-yl-6,6-dimethyl-6,7-dihydro1,3thiazolo5,4-cpyridin-4(5H)-one 

[1]Patent:WO2008/1076,2008,A1.Locationinpatent:Page/Pagecolumn188

[2]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5299-5302

C29H22BrN3OS 
  761446-45-1   
C39H31N5OS 

[1]Patent:US2006/154973,2006,A1.Locationinpatent:Page/Pagecolumn43

2033-46-7    761446-45-1   
N-5-(1-benzyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazol-2-ylacetamide 

[1]Patent:WO2007/82956,2007,A1.Locationinpatent:Page/Pagecolumn51

[1]Patent:WO2008/154241,2008,A1.Locationinpatent:Page/Pagecolumn148-149

[1]Patent:WO2008/154241,2008,A1.Locationinpatent:Page/Pagecolumn140

Literature
Quotation Request
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Quantity Required:
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Additional Info:
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SDS
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Tags:761446-45-1 Molecular Formula|761446-45-1 MDL|761446-45-1 SMILES|761446-45-1 1-Benzylpyrazole-4-boronic acid, pinacol ester
Catalog No.: AA003DWJ
761446-45-1,MFCD03789252
761446-45-1 | 1-Benzylpyrazole-4-boronic acid, pinacol ester
Pack Size： 250mg
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 97%
in stock
$17.00 $12.00
Pack Size： 5g
Purity： 97%
in stock
$25.00 $18.00
Pack Size： 10g
Purity： 97%
in stock
$49.00 $34.00
Pack Size： 25g
Purity： 97%
in stock
$121.00 $85.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003DWJ
Chemical Name: 1-Benzylpyrazole-4-boronic acid, pinacol ester
CAS Number: 761446-45-1
Molecular Formula: C16H21BN2O2
Molecular Weight: 284.1611
MDL Number: MFCD03789252
SMILES: CC1(C)OB(OC1(C)C)c1cnn(c1)Cc1ccccc1
Properties
BP: 427.9°C at 760 mmHg  
Form: Solid  
MP: 86-90 °C(lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 353  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Upstream Synthesis Route
269410-08-4    100-39-0    761446-45-1 

[1]Patent:US2018/296543,2018,A1,.Locationinpatent:Paragraph0573;0574;0600

[2]Patent:WO2015/95767,2015,A1,.Locationinpatent:Page/Pagecolumn284;285

[3]Patent:WO2016/124508,2016,A1,.Locationinpatent:Page/Pagecolumn55

[4]JournalofMedicinalChemistry,2016,vol.59,#4,p.1370-1387

[5]Patent:WO2014/60395,2014,A1,.Locationinpatent:Page/Pagecolumn35

50877-42-4    73183-34-3    761446-45-1 

[1]Patent:US8080566,2011,B1,.Locationinpatent:Page/Pagecolumn57

[2]Patent:WO2016/615,2016,A1,.Locationinpatent:Paragraph00556

50877-41-3    185990-03-8    761446-45-1 

[1]ChemicalScience,2015,vol.6,#5,p.2943-2951

50877-42-4    25015-63-8    761446-45-1 

[1]OrganicandBiomolecularChemistry,2011,vol.9,#9,p.3139-3141

100-39-0    761446-45-1 

[1]Patent:US8080566,2011,B1,

[2]Patent:WO2016/615,2016,A1,

Downstream Synthesis Route
1000793-42-9    761446-45-1   
2-6-(1-benzyl-1H-pyrazol-4-yl)-2,3-dihydrobenzo1,4oxazin-4-yl-6,6-dimethyl-6,7-dihydro1,3thiazolo5,4-cpyridin-4(5H)-one 

[1]Patent:WO2008/1076,2008,A1.Locationinpatent:Page/Pagecolumn188

[2]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5299-5302

C29H22BrN3OS 
  761446-45-1   
C39H31N5OS 

[1]Patent:US2006/154973,2006,A1.Locationinpatent:Page/Pagecolumn43

2033-46-7    761446-45-1   
N-5-(1-benzyl-1H-pyrazol-4-yl)-4-methyl-1,3-thiazol-2-ylacetamide 

[1]Patent:WO2007/82956,2007,A1.Locationinpatent:Page/Pagecolumn51

761446-45-1    179897-89-3    1093307-32-4 

[1]Patent:WO2008/154241,2008,A1.Locationinpatent:Page/Pagecolumn148-149

761446-45-1    152626-92-1    1093304-62-1 

[1]Patent:WO2008/154241,2008,A1.Locationinpatent:Page/Pagecolumn140

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