methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

m 233

Formula: C14H19BO4

Canonical Smiles: COC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Inchi: InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3

Inchikey: REIZEQZILPXYKS-UHFFFAOYSA-N

Mass: 262.14

Crosslinks: Pubchem

Publication (almost 4 years ago)

Authors:

Sylvain Grosjean

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N

Characterization

Nopreview

NMR/1H/CDCl3/500

1H-NMR (CDCl3, 500 MHz): δ = 8.02 (d, 2H, J = 8.0 Hz, CHAr), 7.87 (d, 2H, J = 8.0 Hz, CHAr), 3.92 (s, 3H, CO2CH3), 1.35 (s, 12H, Bpin) ppm.

DOI: 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/NMR/1H/CDCl3/500

Nopreview

NMR/13C/CDCl3/125

13C-NMR (CDCl3, 125 MHz): δ = 167.3 (CO2Me), 134.8 (CHPh), 132.4 (CIV), 128.7 (CHPh), 84.3 (CIVBpin), 52.3 (CO2CH3), 25.0 (CH3 Bpin) ppm.

DOI: 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/NMR/13C/CDCl3/125

Nopreview

IR

IR (ATR): ν = 2985, 2924, 1720, 1614, 1561, 1508, 1434, 1397, 1326, 1190 cm-1.

DOI: 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/IR

Nopreview

Mass/EI

MS (EI, 70 eV): m/z (%) = 262 (38), 247 (67), 176 (100), 163 (79).

HRMS (C14H19BO4): calc. 262.1376, found. 262.1376

DOI: 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/Mass/EI

Nopreview

TLC

Rf = 0.14 (ethyl acetate:n-hexane, 3:7)

DOI: 10.14272/REIZEQZILPXYKS-UHFFFAOYSA-N/TLC


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