3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
- Product Name
- 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
- CAS No.
- 515131-35-8
- Chemical Name
- 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
- Synonyms
- 3-BORONO-4-METHYLBENZOIC ACID PINACOL ESTER;5-Carboxy-2-methylphenylboronic acid, pinacol ester;4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl);4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID;4-Methyl-3-((4,4,5,5-tetramethyl)-1,3,2-dioxaboralan-2-yl)-benzoicacid;Benzoic acid, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;4-Methyl-3-((4,4,5,5-tetramethyl)-1,3,2-dioxaboralan-2-yl)-benzoic acid 95+%
- CBNumber
- CB7203497
- Molecular Formula
- C13H16BFO4
- Formula Weight
- 266.08
- MOL File
- 515131-35-8.mol
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID Property
- Melting point:
- 237-238°
- storage temp.
- Inert atmosphere,2-8°C
- form
- solid
- color
- Off-white
Safety
- HazardClass
- IRRITANT
- HS Code
- 2931900090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P260Do not breathe dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
N-Bromosuccinimide Price
- Product number
- 299831
- Product name
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
- Packaging
- 1.00g
- Price
- $60
- Updated
- 2026/05/19
- Product number
- 299831
- Product name
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
- Packaging
- 5.00g
- Price
- $213
- Updated
- 2026/05/19
- Product number
- 299831
- Product name
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
- Packaging
- 25.00g
- Price
- $924
- Updated
- 2026/05/19
- Product number
- 032465
- Product name
- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Packaging
- 500.00mg
- Price
- $116
- Updated
- 2026/05/18
- Product number
- M38924
- Product name
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $53
- Updated
- 2026/05/06
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID Chemical Properties,Usage,Production
Synthesis
82998-57-0
73183-34-3
515131-35-8
3-Iodo-4-methylbenzoic acid (26.2 g, 100 mmol) and pinacol ester of bis(boronic acid) (38.1 g, 150 mmol) were used as raw materials, and 3-iodo-4-methylbenzoic acid was dissolved in DMF (300 mL) under argon protection. Subsequently, pinacol ester of bis(boronic acid), [1,1'-bis(diphenylphosphino)ferrocene]palladium dichloride (8.17 g, 10.0 mmol) and potassium acetate (49.0 g, 500 mmol) were added sequentially. The reaction mixture was stirred at 100 °C for 6 hours. After completion of the reaction, the mixture was acidified by adding 1 mol/L hydrochloric acid to the mixture and extracted with ethyl acetate. The organic layer was sequentially washed with brine and dried with anhydrous magnesium sulfate. Activated carbon (1 g) was added to decolorize the mixture and stirred at room temperature for 1 h. The mixture was filtered through diatomaceous earth and the filter cake was washed with ethyl acetate. The filtrate was concentrated and the resulting solid was recrystallized with isopropyl ether and filtered to afford the target product 4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid (Compound A8, 18.5 g, 71% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 1.36 (s, 12H), 2.61 (s, 3H), 7.26 (d, J = 8.1 Hz, 1H), 8.02 (dd, J = 8.1,1.8 Hz, 1H), 8.49 (d, J = 1.8 Hz, 1H).
References
[1] Patent: EP2269993, 2011, A1. Location in patent: Page/Page column 53
[2] Patent: WO2007/339, 2007, A1. Location in patent: Page/Page column 44-45
[3] Journal of Medicinal Chemistry, 2006, vol. 49, # 19, p. 5671 - 5686
[4] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 15, p. 4428 - 4432
[5] Patent: WO2006/104917, 2006, A2. Location in patent: Page/Page column 78-79
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID Preparation Products And Raw materials
Raw materials
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