4-(METHOXYCARBONYL)PHENYLBORONIC ACID Chemical Properties

Melting point:

197-200 °C (lit.)

Boiling point:

345.8±44.0 °C(Predicted)

Density 

1.25±0.1 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Soluble in methanol.

form 

powder

pka

7.69±0.10(Predicted)

color 

white to off-white

InChI

InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3

InChIKey

PQCXFUXRTRESBD-UHFFFAOYSA-N

SMILES

C1=CC(C(OC)=O)=CC=C1B(O)O

CAS DataBase Reference

99768-12-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26

WGK Germany 

3

TSCA 

No

HazardClass 

IRRITANT

HS Code 

29163990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

4-(METHOXYCARBONYL)PHENYLBORONIC ACID Usage And Synthesis

Chemical Properties

White to light yellow crystal powde

Uses

suzuki reaction

Uses

4-(Methoxycarbonyl)phenylboronic Acid is used in the synthesis and evaluation of several organic compounds including that of 4-Cyclohexylbutyl-N-[(S)-2-oxoazetidin-3-yl]carbamate which is a potent inhibitor of intracellular NAAA activity. Also used in the design and synthesis of BMS-955176 which is a potent, orally active second generation HIV-1 maturation inhibitor.

Uses

4-(Methoxycarbonyl)phenylboronic Acid is a reagent used for• ;Tandem-type Pd(II)-catalyzed oxidative Heck reaction and intramolecular C-H amidation sequence1 • ;Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides2 • ;One-pot ipso-nitration of arylboronic acids3 • ;Copper-catalyzed nitration4 • ;Cyclocondensation followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling5 • ;Reagent used in Preparation of• ;Biaryls via nickel-catalyzed Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid6† • ;Chromenones and their

4-(METHOXYCARBONYL)PHENYLBORONIC ACID(99768-12-4)Related Product Information

• Methyl benzenesulfonate
• Phenethylboronic acid
• Phenylboronic acid
• Basic Violet 1
• 4-Methoxyphenylboronic acid
• 4-Hydroxyphenylboronic acid
• 4-Tolylboronic acid
• Methyl acetate
• Acetonitrile
• Trimethyl borate
• Paraquat dichloride
• Methyl 2,2-dimethylphenylacetate
• Methyl acrylate
• Methyl benzoate
• Kresoxim-methyl
• Methyl anthranilate
• Methylparaben
• Isoquinoline-1-carboxylic acid