Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester
- Product Name
- Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester
- CAS No.
- 36256-45-8
- Chemical Name
- Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester
- Synonyms
- Labetalol Impurity 8;Methyl 5-(bromoacetyl)salicylate;Metribuzin Impurity 7 (Isomethiozin);3-CarboMethoxy-4-hydroxy-α-broMoacet;Methyl 5-(bromoacetyl)-2-hydroxybenzoate;Methyl 5-(2-broMoacetyl)-2-hydroxybenzoate;5-(Bromoacetyl)salicylic acid methyl ester;3-CarboMethoxy-4-hydroxy-α-broMoacetophenone;3-Carbomethoxy-4-hydroxy-a-bromoacetophenone;5-(2-BroMoacetyl)-2-hydroxyl benzoic acid Methyl ester
- CBNumber
- CB62604079
- Molecular Formula
- C10H9BrO4
- Formula Weight
- 273.08
- MOL File
- 36256-45-8.mol
Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester Property
- Melting point:
- 91-92℃
- Boiling point:
- 390.2±32.0 °C(Predicted)
- Density
- 1.601±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.52±0.20(Predicted)
- color
- Off-White to Pale Brown
N-Bromosuccinimide Price
- Product number
- C176665
- Product name
- 3-Carbomethoxy-4-hydroxy-α-bromoacetophenone
- Packaging
- 10g
- Price
- $1190
- Updated
- 2021/12/16
- Product number
- 55399
- Product name
- 3-Carbomethoxy-4-hydroxy-α-bromoacetophenone
- Packaging
- 10g
- Price
- $2200
- Updated
- 2021/12/16
- Product number
- CS-M1162
- Product name
- methyl5-(2-bromoacetyl)-2-hydroxybenzoate
- Packaging
- 250mg
- Price
- $132
- Updated
- 2021/12/16
- Product number
- 4590AB
- Product name
- Methyl5-(2-bromoacetyl)-2-hydroxybenzoate
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- HCH0360325
- Product name
- METHYL-5-(2-BROMOACETYL)-2-HYDROXYBENZOATE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $580.65
- Updated
- 2021/12/16
Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester Chemical Properties,Usage,Production
Uses
3-Carbomethoxy-4-hydroxy-α-bromoacetophenone, can be used for the synthesis of carboxyarylindoles and benzofurans as nonsteroidal antiinflammatory agents.
Preparation
Obtained by reaction of dioxane dibromide with methyl 5-acetyl-2-hydroxybenzoate in dioxane/ethyl ether mixture (76%).
Synthesis
16475-90-4
36256-45-8
Methyl 5-acetyl-2-hydroxybenzoate (1.0 g, 5.1 mmol) was used as starting material, which was dissolved in a mixed CHCl3/EtOAc solvent (40 mL), and copper (II) bromide (2.4 g, 10.8 mmol) was added under stirring. The reaction mixture was gently refluxed at 40-50 °C for 4 h. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was filtered and subsequently extracted by adding water (50 mL) and EtOAc (40 mL). The EtOAc layer was separated and the aqueous layer was further extracted with EtOAc (20 mL x 2). All EtOAc extracts were combined, dried with anhydrous MgSO4, filtered and concentrated under reduced pressure to give the crude product, methyl 5-(2-bromoacetyl)-2-hydroxybenzoate, as a yellow-white solid. The crude product was purified by recrystallization from dichloromethane and hexane to afford the target compound, methyl 5-(2-bromoacetyl)-2-hydroxybenzoate (2), as a white solid (1.2 g, yield about 85%, purity about 95%). The spectral data (1H NMR) of the obtained compound were in agreement with literature reports: 1H NMR (400 MHz, CDCl3) δ (ppm): 11.35 (s, 1H), 8.53 (d, J = 2.3 Hz, 1H), 8.12 (dd, J = 8.8, 2.2 Hz, 1H), 7.08 (d, J = 8.8 Hz, 1H), 4.41 ( s, 2H), 4.02 (s, 3H).
References
[1] European Journal of Medicinal Chemistry, 2017, vol. 136, p. 452 - 456
[2] Patent: WO2017/120193, 2017, A1. Location in patent: Page/Page column 53
[3] Journal of Medicinal Chemistry, 1981, vol. 24, # 3, p. 327 - 336
[4] Journal of Medicinal Chemistry, 1980, vol. 23, # 7, p. 738 - 744
[5] Canadian Journal of Chemistry, 2011, vol. 89, # 3, p. 364 - 384
Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester Preparation Products And Raw materials
Raw materials
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View Lastest Price from Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester manufacturers
- Product
- Benzoic acid, 5-(2-bromoacetyl)-2-hydroxy-, methyl ester 36256-45-8
- Price
- US $0.00/Kg/Drum
- Min. Order
- 25Kg/Drum
- Purity
- 98%
- Supply Ability
- 10 Metric Ton/Month
- Release date
- 2020-04-17