3-BroMo-5-cyanobenzoic acid Methyl ester
- Product Name
- 3-BroMo-5-cyanobenzoic acid Methyl ester
- CAS No.
- 453566-15-9
- Chemical Name
- 3-BroMo-5-cyanobenzoic acid Methyl ester
- Synonyms
- Methyl 3-BroMo-5-cyanobenzoate;Methyl-5-bromo-3-cyanobenzoate;3-BroMo-5-cyanobenzoic acid Methyl ester;Benzoic acid, 3-broMo-5-cyano-, Methyl ester;3-Bromo-5-cyanobenzoic acid methyl ester 97%
- CBNumber
- CB32670804
- Molecular Formula
- C9H6BrNO2
- Formula Weight
- 240.05
- MOL File
- 453566-15-9.mol
3-BroMo-5-cyanobenzoic acid Methyl ester Property
- Boiling point:
- 301.3±27.0 °C(Predicted)
- Density
- 1.60±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
Safety
- HS Code
- 2916399090
N-Bromosuccinimide Price
- Product number
- X5295
- Product name
- 3-Bromo-5-cyanobenzoicacidmethylester
- Packaging
- 100mg
- Price
- $95
- Updated
- 2021/12/16
- Product number
- 4H37-9-02
- Product name
- 3-Bromo-5-cyanobenzoic acid methyl ester
- Packaging
- 250mg
- Price
- $103
- Updated
- 2021/12/16
- Product number
- 4H37-9-02
- Product name
- 3-Bromo-5-cyanobenzoic acid methyl ester
- Packaging
- 1g
- Price
- $253
- Updated
- 2021/12/16
- Product number
- HCH0369297
- Product name
- METHYL-3-BROMO-5-CYANOBENZOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $497.64
- Updated
- 2021/12/16
- Product number
- A873610
- Product name
- Methyl3-bromo-5-cyanobenzoate
- Purity
- 98%
- Packaging
- 250mg
- Price
- $27
- Updated
- 2021/12/16
3-BroMo-5-cyanobenzoic acid Methyl ester Chemical Properties,Usage,Production
Synthesis
1427407-54-2
453566-15-9
General procedure: methyl 3-bromo-5-carbamoylbenzoate (2.8 g, 10.8 mmol, 1.0 eq.) was dissolved in POCl3 (30 mL) and the reaction mixture was heated to reflux at 100 °C overnight. After completion of the reaction, POCl3 was removed by distillation under reduced pressure, the residue was diluted with water and the aqueous phase was extracted with EtOAc (3 x 30 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (petroleum ether/ethyl acetate, 20:1) to afford methyl 3-bromo-5-cyanobenzoate (2.5 g, 96% yield). The product was dissolved in THF (30 mL), LiOH-H2O (1.7 g, 41.6 mmol, 1.54 eq.) and H2O (10 mL) were added and stirred at room temperature overnight. After completion of the reaction, THF was removed under reduced pressure and the aqueous phase was acidified to pH 2-3 with dilute HCl and extracted with EtOAc (3 × 30 mL). The organic phases were combined, dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (CH2Cl2/MeOH, 50:1) to afford methyl 3-bromo-5-cyanobenzoate as a white solid (2 g, 85% yield).LC-MS: m/z 248.0, 249.9 [M + Na]+. 1H NMR (400 MHz, DMSO) δ 13.67 (br s, 1H), 8.40 (s , 1H), 8.24 (s, 1H), 8.24 (s, 1H).
References
[1] Patent: WO2013/37705, 2013, A2. Location in patent: Page/Page column 139
3-BroMo-5-cyanobenzoic acid Methyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-BroMo-5-cyanobenzoic acid Methyl ester manufacturers
- Product
- 3-BroMo-5-cyanobenzoic acid Methyl ester 453566-15-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 100KG
- Release date
- 2019-12-30