CAS 78887-39-5 3-Acetamidophenylboronic acid

NAVIGATION

3-Acetamidophenylboronic acid

PRICE INQUIRY

Catalog Number

ACM78887395-1

CAS Number

78887-39-5

Product Name

3-Acetamidophenylboronic acid

Structure

Category

Salt

Synonyms

RARECHEM AH PB 0113;TIMTEC-BB SBB000203;3-ACETAMIDOPHENYLBORONIC ACID;3-ACETAMIDOBENZENEBORONIC ACID;3-ACETYLAMINOPHENYLBORONIC ACID;M-ACETAMIDOPHENYLBORONIC ACID;3-Acetaminophenylbornic acid
;3-(Acetylamino)benzeneboronic acid

IUPAC Name

(3-acetamidophenyl)boronic acid

Molecular Weight

178.98g/mol

Molecular Formula

C8H10BNO3

Canonical SMILES

B(C1=CC(=CC=C1)NC(=O)C)(O)O

InChI

InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)

InChI Key

IBTSWKLSEOGJGJ-UHFFFAOYSA-N

Application

3-Acetamidophenylboronic acid is an off-white to pale brown powder primarily used as a reactant in several chemical processes and synthesis pathways. It is notable for its role in Suzuki-Miyaura coupling reactions and trifluoromethylation. Additionally, this compound is instrumental in synthesizing a range of inhibitors with significant applications, including NR2B subtype of NMDA receptor antagonists, which are explored for their potential antidepressant activity. It also contributes to the creation of biphenylylmethylimidazole derivatives used as 17,20-lyase inhibitors and (indolyl)-3,5-substituted benzene analogs with antimitotic and antitumor properties. Furthermore, it is involved in producing substituted pyrrolidines and tetrahydrofurans, which serve as positive modulators of AMPA receptors.

Complexity

186

Covalently-Bonded Unit Count

Exact Mass

179.075373g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

179.075373g/mol

Rotatable Bond Count

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