CAS 1168135-03-2 Benzo[c][1,2,5]thiadiazol-5-ylboronic acid pinacol ester

NAVIGATION

Benzo[c][1,2,5]thiadiazol-5-ylboronic acid pinacol ester

PRICE INQUIRY

Catalog Number

ACM1168135032-1

CAS Number

1168135-03-2

Product Name

Benzo[c][1,2,5]thiadiazol-5-ylboronic acid pinacol ester

Structure

Category

Salt; Synthetic Tools and Reagents

IUPAC Name

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

Molecular Weight

262.14

Molecular Formula

C12H15BN2O2S

Canonical SMILES

CC1(C)OB(OC1(C)C)c2ccc3nsnc3c2

InChI

1S/C12H15BN2O2S/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3,KISHNZJGTMYYKH-UHFFFAOYSA-N

InChI Key

KISHNZJGTMYYKH-UHFFFAOYSA-N

Melting Point

81-86 °C,2-8°C

Application

Benzo[c][1,2,5]thiadiazol-5-ylboronic acid pinacol ester can be used as a reactant: • To synthesize 5-methylbenzo[c][1,2,5]thiadiazole by methylation reaction with methyl iodide using palladium catalyst.• In the Miyaura borylation and Suzuki coupling reactions.• To prepare benzothiadiazole derivatives as potent PFKFB3 kinase inhibitors.

Storage

room temp

Assay

0.97

Complexity

324

Covalently-Bonded Unit Count

Exact Mass

262.094729g/mol

Formal Charge

Heavy Atom Count

MDL Number