tert-butyl 2-broMo-5-fluorobenzoate
- Product Name
- tert-butyl 2-broMo-5-fluorobenzoate
- CAS No.
- 1263281-14-6
- Chemical Name
- tert-butyl 2-broMo-5-fluorobenzoate
- Synonyms
- tert-butyl 2-broMo-5-fluorobenzoate;Benzoic acid, 2-bromo-5-fluoro-, 1,1-dimethylethyl ester
- CBNumber
- CB32597921
- Molecular Formula
- C11H12BrFO2
- Formula Weight
- 275.11
- MOL File
- 1263281-14-6.mol
tert-butyl 2-broMo-5-fluorobenzoate Property
- Boiling point:
- 285.9±25.0 °C(Predicted)
- Density
- 1.394±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- Appearance
- Colorless to light yellow Liquid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H320Causes eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing 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.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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
- 9001DG
- Product name
- Tert-butyl2-bromo-5-fluorobenzoate
- Packaging
- 250mg
- Price
- $196
- Updated
- 2021/12/16
- Product number
- 182128
- Product name
- Benzoic acid
- Purity
- 2-bromo-5-fluoro-1,1-dimethylethyl ester95%
- Packaging
- 5g
- Price
- $908
- Updated
- 2021/12/16
- Product number
- 182128
- Product name
- Benzoic acid
- Purity
- 2-bromo-5-fluoro-1,1-dimethylethyl ester95%
- Packaging
- 10g
- Price
- $1238
- Updated
- 2021/12/16
- Product number
- A110108
- Product name
- tert-Butyl2-bromo-5-fluorobenzoate
- Purity
- 95%
- Packaging
- 100mg
- Price
- $37
- Updated
- 2021/12/16
- Product number
- A110108
- Product name
- tert-Butyl2-bromo-5-fluorobenzoate
- Purity
- 95%
- Packaging
- 250mg
- Price
- $63
- Updated
- 2021/12/16
tert-butyl 2-broMo-5-fluorobenzoate Chemical Properties,Usage,Production
Synthesis
394-28-5
75-65-0
1263281-14-6
General procedure for the synthesis of tert-butyl 2-bromo-5-fluorobenzoate from 2-bromo-5-fluorobenzoic acid and tert-butanol: To a solution of dichloromethane (15 mL) containing 2-bromo-5-fluorobenzoic acid (3.22 g, 14.7 mmol), tert-butanol (4.20 mL, 44.1 mmol), and 4-dimethylaminopyridine (1.44 g, 11.8 mmol) at 0 °C was added slowly. ) solution of N,N'-dicyclohexylcarbodiimide (3.34 g, 16.2 mmol) was slowly added. The reaction mixture was stirred at room temperature for 15 h. The reaction was quenched with water (30 mL) and extracted with ethyl acetate (50 mL × 3). The organic layers were combined and washed sequentially with saturated aqueous ammonium chloride solution (50 mL) and saturated aqueous sodium bicarbonate solution (50 mL). The organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was purified by neutral silica gel column chromatography (hexane/ethyl acetate = 25:1) to afford tert-butyl 2-bromo-5-fluorobenzoate in 86% yield (3.49 g, 12.7 mmol). The product was a colorless oil; IR (ATR) ν 2980, 1714, 1467, 1300, 1249, 1158, 1028, 817, 609 cm^-1; ^1H NMR (400 MHz, CDCl_3) δ 1.61 (9H, s), 6.98-7.05 (1H, m), 7.41 (1H, dd, J_H-F = 8.8 Hz, J_H-H = 3.1 Hz), 7.57 (1H, dd, J_H-H = 8.8 Hz, J_H-F = 5.1 Hz); ^13C NMR (100 MHz, CDCl_3) δ 28.1, 83.2, 115.3, 118.0 (d, J_C-F = 24.5 Hz), 119.2 (d, J_C-F = 22.1 Hz), 135.45, 135.52, 161.4 (d, J_C-F = 248.5 Hz), 164.4; ^19F NMR (376 MHz, CDCl_3) δ -51.6 (1F, td, J_F-H = 8.8, 5.1 Hz); MS (ESI-TOF) m/z 297 [M + Na]^+, 299 [M + 2 + Na]^+; HRMS calculated value C_11H_12BrFNaO_2 [M + Na]^+, 296.9902; measured value, 296.9900.
References
[1] Tetrahedron Letters, 2013, vol. 54, # 17, p. 2160 - 2163
tert-butyl 2-broMo-5-fluorobenzoate Preparation Products And Raw materials
Raw materials
Preparation Products
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