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Boronic acid esters
Description:
Compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-oxazine-4-carboxylateCas Number: 2223055-83-0 Compound CID: 72218563Formula: C15H26BNO5 Molecular Weight: 311.18SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(CCO2)C(=O)OC(C)(C)CInChIKey: YAQVBHHWVXILJH-UHFFFAOYSA-NInChI: InChI=1S/C15H26BNO5/c1-13(2,3)20-12(18)17-8-9-19-11(10-17)16-21-14(4,5)15(6,7)22-16/h10H,8-9H2,1-7H3 -
ethyl 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylateCas Number: 1260106-23-7 Compound CID: 66583732Formula: C16H27BO4 Molecular Weight: 294.2SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(C)C(=O)OCCInChIKey: ORRLWTVWCZOQJG-UHFFFAOYSA-NInChI: InChI=1S/C16H27BO4/c1-7-19-13(18)16(6)10-8-12(9-11-16)17-20-14(2,3)15(4,5)21-17/h8H,7,9-11H2,1-6H3 -
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazoleCas Number: 942070-84-0 Compound CID: 53427091Formula: C9H14BNO3 Molecular Weight: 195.03SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=CO2InChIKey: VKDRZPADYMLKNW-UHFFFAOYSA-NInChI: InChI=1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-6-12-7/h5-6H,1-4H3 -
4-cyano-1-methyl-1H-pyrazole-5-boronic acid pinacol esterCas Number: 1638360-07-2 Compound CID: 74890601Formula: C11H16BN3O2 Molecular Weight: 233.08SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)C#NInChIKey: MHKVFOLXIHFKRC-UHFFFAOYSA-NInChI: InChI=1S/C11H16BN3O2/c1-10(2)11(3,4)17-12(16-10)9-8(6-13)7-14-15(9)5/h7H,1-5H3 -
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 1983153-03-2 Compound CID: 146157884IUPAC Name: 5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)FInChIKey: FUFLRCCNGTZOCT-UHFFFAOYSA-NInChI: InChI=1S/C9H14BFN2O2/c1-8(2)9(3,4)15-10(14-8)6-5-12-13-7(6)11/h5H,1-4H3,(H,12,13)
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2-(2,2-dimethyl-2,5-dihydrofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCas Number: 1443110-16-4 Compound CID: 72221100Formula: C12H21BO3 Molecular Weight: 224.11SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCOC2(C)CInChIKey: SZAWSBLQUZPAMZ-UHFFFAOYSA-NInChI: InChI=1S/C12H21BO3/c1-10(2)9(7-8-14-10)13-15-11(3,4)12(5,6)16-13/h7H,8H2,1-6H3
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2-(3,4-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCas Number: 1046811-99-7 Compound CID: 53217152Formula: C11H19BO3 Molecular Weight: 210.08IUPAC Name: 2-(3,4-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSMILES: B1(OC(C(O1)(C)C)(C)C)C2=COCCC2InChIKey: UQPQMEFVQNERGS-UHFFFAOYSA-NInChI: InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h8H,5-7H2,1-4H3
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1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 847818-76-2 Compound CID: 11264841Formula: C12H21BN2O2 Molecular Weight: 236.12IUPAC Name: 1-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2CCCInChIKey: FLLUYNSHSZMQPN-UHFFFAOYSA-NInChI: InChI=1S/C12H21BN2O2/c1-6-9-15-10(7-8-14-15)13-16-11(2,3)12(4,5)17-13/h7-8H,6,9H2,1-5H3
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1-(ethanesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCas Number: 1612173-68-8 Compound CID: 90177604Formula: C11H19BN2O4S Molecular Weight: 286.16SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)S(=O)(=O)CCInChIKey: OFPXYHDUQSEHTJ-UHFFFAOYSA-NInChI: InChI=1S/C11H19BN2O4S/c1-6-19(15,16)14-8-9(7-13-14)12-17-10(2,3)11(4,5)18-12/h7-8H,6H2,1-5H3
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tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamateCas Number: 1414475-01-6 Compound CID: 71014511IUPAC Name: tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCNC(=O)OC(C)(C)CInChIKey: REFRJKFVMSRUEM-UHFFFAOYSA-NInChI: InChI=1S/C16H28BN3O4/c1-14(2,3)22-13(21)18-8-9-20-11-12(10-19-20)17-23-15(4,5)16(6,7)24-17/h10-11H,8-9H2,1-7H3,(H,18,21)
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4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolaneCas Number: 2410440-14-9 Compound CID: 122164132Formula: C12H18BF3O2 Molecular Weight: 262.079IUPAC Name: 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolaneSMILES: B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(F)(F)FInChIKey: MPDFIVMYKPINPF-UHFFFAOYSA-NInChI: InChI=1S/C12H18BF3O2/c1-8(2)9(3,4)18-13(17-8)11-5-10(6-11,7-11)12(14,15)16/h5-7H2,1-4H3
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4,4,5,5-tetramethyl-2-{spiro[2.5]oct-5-en-6-yl}-1,3,2-dioxaborolaneCas Number: 859219-46-8 Compound CID: 23142541Formula: C14H23BO2 Molecular Weight: 234.14SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC3(CC2)CC3InChIKey: KPZIKZBFRLOIDN-UHFFFAOYSA-NInChI: InChI=1S/C14H23BO2/c1-12(2)13(3,4)17-15(16-12)11-5-7-14(8-6-11)9-10-14/h5H,6-10H2,1-4H3
