Home Boronic Acids 1006875-83-7
1006875-83-7,MFCD22570725
Catalog No.:AA0002JZ
1006875-83-7 | tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
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250mg
96%
in stock  
$135.00   $95.00
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1g
96%
in stock  
$358.00   $250.00
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5g
96%
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$1,031.00   $722.00
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Technical Information
Catalog Number:
AA0002JZ
Chemical Name:
tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
CAS Number:
1006875-83-7
Molecular Formula:
C15H25BN2O4
Molecular Weight:
308.1810
MDL Number:
MFCD22570725
IUPAC Name:
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
InChI:
InChI=1S/C15H25BN2O4/c1-13(2,3)20-12(19)10-18-9-11(8-17-18)16-21-14(4,5)15(6,7)22-16/h8-9H,10H2,1-7H3
InChI Key:
UZSRXQQCEWMKJL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.191g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.185g/mol
Monoisotopic Mass:
308.191g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1006875-83-7 
tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate 
ZINC170028935 
DS-9279 
SB12212 
DA-48422 
AX8287702 
CS-0037664 
FT-0761699 
F2147-7271 
tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate 
t-butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-acetate 
AK150687 
t-butyl[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-acetate 
t-Butyl[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate 
tert-butyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate 
tert-butyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]acetate 
[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-acetic acid t-butyl ester 
1H-Pyrazole-1-acetic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester 
Tert-butyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate 
A1-01127 
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate 
UZSRXQQCEWMKJL-UHFFFAOYSA-N 
SCHEMBL844227 
MFCD22570725 
AKOS022190035 
Literature
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