CAS 210907-84-9 3-Aminophenylboronic acid pinacol ester

NAVIGATION

3-Aminophenylboronic acid pinacol ester

PRICE INQUIRY

Catalog Number

ACM210907849-1

CAS Number

210907-84-9

Product Name

3-Aminophenylboronic acid pinacol ester

Category

Salt

Synonyms

3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;3-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;3-AMINOPHENYLBORONIC ACID PINACOL ESTER;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ANILINE 97%;3-Aminobenzeneboronic acid pinacol ester, 97%;3-(4,4

IUPAC Name

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

Molecular Weight

219.09g/mol

Molecular Formula

C12H18BNO2

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N

InChI

InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3

InChI Key

YMXIIVIQLHYKOT-UHFFFAOYSA-N

Purity

97%

Application

3-Aminophenylboronic acid pinacol ester is a versatile compound, typically available as light brown crystals or powder, that serves multiple purposes in advanced chemical synthesis. It is utilized as a starting material in the production of 6-(hetero)arylthieno[3,2-b]pyridines, which have shown selective inhibitory effects on human tumor cells. Additionally, it plays a key role in the functionalization of deuteroporphyrin IX dimethyl ester through the Suzuki-Miyaura coupling reaction. Furthermore, this compound is integral in the preparation of benzo[d]oxazole-based type-I FLT3-ITD inhibitors, expanding its importance in medicinal chemistry.

Complexity

252

Covalently-Bonded Unit Count

Exact Mass

219.143059g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

219.143059g/mol

Rotatable Bond Count

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