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3-Dimethylaminophenylboronic acid

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CAS:178752-79-9
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CAS:178752-79-9
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Products Intro: Product Name:3-(N,N-Dimethylamino)phenylboronic acid
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Products Intro: Product Name:3-Dimethylaminophenylboronic acid,HCl
CAS:178752-79-9
Purity:0.98 Package:1g;5g;25g;4411g

3-Dimethylaminophenylboronic acid manufacturers

3-Dimethylaminophenylboronic acid Basic information
Product Name:3-Dimethylaminophenylboronic acid
Synonyms:AKOS BRN-0450;3-(N,N-DIMETHYLAMINO)PHENYLBORONIC ACID;3-(DIMETHYLAMINO)BENZENEBORONIC ACID;3-(DIMETHYLAMINO)PHENYLBORONIC ACID;3-DIMETHYLAMINOPHENYLBORONIC ACID HCL;3-(Dimethylamino)Phenylboronic;REF DUPL: 3-(N,N-Dimethylamino)phenylboronic acid;3-Dimethylaminophenylboronic acid hydrochloride
CAS:178752-79-9
MF:C8H12BNO2
MW:165
EINECS:
Product Categories:Boronate Ester;Potassium Trifluoroborate;Amines;Aroamtics;Amino;Aryl;Organoborons;Boron Derivatives;Boronic acids;API intermediates;Boronic Acid;Boronic Acids;Boronic Acids and Derivatives
Mol File:178752-79-9.mol
3-Dimethylaminophenylboronic acid Structure
3-Dimethylaminophenylboronic acid Chemical Properties
Melting point 191-193°C
Boiling point 344.0±44.0 °C(Predicted)
density 1.12±0.1 g/cm3(Predicted)
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
form Solid
pka8.54±0.10(Predicted)
color Pale Green to Pale Grey
InChIInChI=1S/C8H12BNO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKeyYZQQHZXHCXAJAV-UHFFFAOYSA-N
SMILESB(C1=CC=CC(N(C)C)=C1)(O)O
CAS DataBase Reference178752-79-9(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26
RIDADR UN 3335
WGK Germany 3
HazardClass IRRITANT
HS Code 29319090
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
3-Dimethylaminophenylboronic acid Usage And Synthesis
Chemical PropertiesSolid
UsesReactant involved in synthesis of different protein effector including:
  • Modulators of survival motor neuron protein
  • Glucokinase activators
  • Aryl ethers for use as Bacillus anthracis enoyl-ACP reductase inhibitors

Reactant involved in synthesis of:
  • Thiourea-functionalized paracyclophanes
  • Low-background fluorescent imaging agents for nitric oxide

Reactant to undergo regioselective iodination and bromination
Uses3-Dimethylaminophenylboronic acid, HCl
General DescriptionMay contain varying amounts of anhydride
Synthesis
3-BROMO-N,N-DIMETHYLANILINE

16518-62-0

3-Dimethylaminophenylboronic acid

178752-79-9

The general procedure for the synthesis of 3-(N,N-dimethylamino)phenylboronic acid from 3-bromo-N,N-dimethylaniline was as follows: 3-bromo-N,N-dimethylaniline (500 mg, 2.50 mmol) was dissolved in tetrahydrofuran (THF, 8 mL) and the solution was cooled to -78 °C. At -78 °C, n-butyllithium (1.6 M in hexane, 1.56 mL, 3.75 mmol) was slowly added dropwise, and after the drop was completed, the reaction mixture continued to be stirred for 5 min by maintaining this temperature. Subsequently, trimethyl borate (1.11 mL, 10.0 mmol) was added and stirred at -78 °C for 1 h, followed by a slow warming to -20 °C over 20 min. 2 M hydrochloric acid (3 mL) was added and after stirring for 5 min, the reaction mixture was neutralized with saturated sodium bicarbonate (NaHCO3) solution. The mixture was extracted with ethyl acetate (3 × 10 mL), the organic phases were combined, and the crude product was concentrated under reduced pressure. Purification by silica gel fast column chromatography with acetone/dichloromethane (1:1, v/v) as eluent gave the target product 3-(N,N-dimethylamino)phenylboronic acid (251 mg, 61% yield).

References[1] Patent: US2006/270686, 2006, A1. Location in patent: Page/Page column 26
[2] Patent: WO2008/8059, 2008, A1. Location in patent: Page/Page column 68
[3] Journal of the American Chemical Society, 2012, vol. 134, # 28, p. 11667 - 11673
[4] Organic Letters, 2012, vol. 14, # 18, p. 4814 - 4817,4
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