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566012

Sigma-Aldrich

3-Acetamidophenylboronic acid

≥95%

Synonym(s):

3-Acetamidobenzeneboronic acid

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About This Item

Linear Formula:
CH3CONHC6H4B(OH)2
CAS Number:
78887-39-5
Molecular Weight:
178.98
Beilstein:
3278316
MDL number:
MFCD00236013
UNSPSC Code:
12352103
PubChem Substance ID:
24880272
NACRES:
NA.22

Assay

≥95%

form

powder

mp

135 °C (lit.)

SMILES string

CC(=O)Nc1cccc(c1)B(O)O

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

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Application

Reactant involved in:
  • Suzuki-Miyaura coupling reactions
  • Trifluoromethylation

Reactant involved in the synthesis of a variety of inhibitors including:
  • NR2B subtype of NMDA receptor antagonists for antidepressant activity
  • Biphenylylmethylimidazole derivatives for use as 17,20-lyase inhibitors
  • (Indolyl)-3,5-substituted benzene analogs with antimitotic and antitumor activity
  • Substituted pyrrolidines and tetrahydrofurans as AMPA receptor positive modulators

Other Notes

Contains varying amounts of anhydride.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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