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.
- 269409-74-7
- Chemical Name
- 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
- Synonyms
- Benzoic acid, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CBNumber
- CB72448674
- Molecular Formula
- C14H19BO4
- Formula Weight
- 262.11
- MOL File
- 269409-74-7.mol
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID Property
- Boiling point:
- 394.1±35.0 °C(Predicted)
- Density
- 1.13±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.16±0.10(Predicted)
- form
- solid
- color
- Red-brown
Safety
- HS Code
- 2931900090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- CS-B1244
- Product name
- 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid
- Purity
- ≥98.0%
- Packaging
- 1g
- Price
- $60
- Updated
- 2021/12/16
- Product number
- J90453
- Product name
- 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid
- Packaging
- 1g
- Price
- $67
- Updated
- 2021/12/16
- Product number
- CS-B1244
- Product name
- 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid
- Purity
- ≥98.0%
- Packaging
- 5g
- Price
- $180
- Updated
- 2021/12/16
- Product number
- CS-B1244
- Product name
- 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid
- Purity
- ≥98.0%
- Packaging
- 10g
- Price
- $315
- Updated
- 2021/12/16
- Product number
- CHM0152297
- Product name
- 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
- Purity
- 98.00%
- Packaging
- 5MG
- Price
- $499.36
- Updated
- 2021/12/16
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID Chemical Properties,Usage,Production
Synthesis
7697-28-1
73183-34-3
269409-74-7
4-Bromo-3-methylbenzoic acid (1 g, 4.65 mmol) and pinacol ester of bisboronic acid (1.77 g, 6.97 mmol) were used as raw materials in the [1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloride complex with dichloromethane (1:1) (379 mg, 0.46 mmol) and potassium acetate (2.3 g, 23.2 mmol) in the in N,N-dimethylformamide (23 mL) in the presence of potassium acetate (2.3 g, 23.2 mmol) were heated in a microwave reaction system (Biotage Initiator sixty) at 120 °C for 15 min. Upon completion of the reaction, the solvent was removed by evaporation under reduced pressure and the residue was suspended in a 2N HCl/ethyl acetate mixture (40 mL, 1:1 v/v). Filtered through sintered glass, the aqueous phase was extracted with ethyl acetate. The organic layers were combined, washed with brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by fast column chromatography on silica gel, using hexane/ethyl acetate (7:3) as eluent, to afford 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (1.1 g, yield 90%) as a white solid.1H-NMR (CDCl3) δ: 1.36 (s, 12H), 2.59 (s, 3H), 7.85-7.90 (m, 3H).
References
[1] Journal of Medicinal Chemistry, 2009, vol. 52, # 17, p. 5531 - 5545
[2] Patent: WO2007/96072, 2007, A2. Location in patent: Page/Page column 36
[3] Patent: WO2008/51493, 2008, A2. Location in patent: Page/Page column 145
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID Preparation Products And Raw materials
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View Lastest Price from 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID manufacturers
- Product
- 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID 269409-74-7
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2019-12-26