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CAS Number: 903550-26-5
1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Structure

1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Name: 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Synonyms:
General Information
Product Number: 903550265
CAS Registry Number: 903550-26-5
Name:
1H-​Pyrazole, 1-​(tetrahydro-​2H-​pyran-​2-​yl)​-​5-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-
1-​(Tetrahydro-​2H-​pyran-​2-​yl)​-​1H-​pyrazole-​5-​boronic acid pinacol ester; 1-​(Tetrahydro-​2H-​pyran-​2-​yl)​-​5-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​1H-​pyrazole 
 
Chemical Formula: C14H23BN2O3
Exact Mass: 278.18
Molecular Weight: 278.16
m/z: 278.18 (100.0%), 277.18 (24.8%), 279.18 (16.0%), 278.19 (3.8%), 280.19 (1.2%)
Elemental Analysis: C, 60.45; H, 8.33; B, 3.89; N, 10.07; O, 17.26
 
InChI: InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
InChIKey: ZZRFDLHBMBHJTI-UHFFFAOYSA-N
Canonical SMILES : B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CCCCO3
 
Thermal Properties Value Condition Note
Melting Point 77-78 °C   (1)CAS

Specification

98%

References
  1. (1) McLaughlin, Mark; Journal of Organic Chemistry 2008, V73(11), P4309-4312 CAPLUS
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