3-broMo-4-ethylbenzoic acid
- Product Name
- 3-broMo-4-ethylbenzoic acid
- CAS No.
- 99548-53-5
- Chemical Name
- 3-broMo-4-ethylbenzoic acid
- Synonyms
- 3-broMo-4-ethylbenzoic acid;Benzoic acid, 3-bromo-4-ethyl-
- CBNumber
- CB72595576
- Molecular Formula
- C9H9BrO2
- Formula Weight
- 229.07
- MOL File
- 99548-53-5.mol
3-broMo-4-ethylbenzoic acid Property
- Melting point:
- 165℃ (ethanol )
- Boiling point:
- 323.5±35.0 °C(Predicted)
- Density
- 1.517±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.96±0.10(Predicted)
- Appearance
- White to off-white Solid
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
-
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
- B687598
- Product name
- 3-Bromo-4-ethylbenzoicAcid
- Packaging
- 100mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- HCH0044914
- Product name
- 3-BROMO-4-ETHYLBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $1033.73
- Updated
- 2021/12/16
- Product number
- 6984AC
- Product name
- 3-Bromo-4-ethylbenzoicacid
- Packaging
- 10g
- Price
- $1670
- Updated
- 2021/12/16
- Product number
- HCH0044914
- Product name
- 3-BROMO-4-ETHYLBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $1899.98
- Updated
- 2021/12/16
- Product number
- HCH0044914
- Product name
- 3-BROMO-4-ETHYLBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 50G
- Price
- $4498.73
- Updated
- 2021/12/16
3-broMo-4-ethylbenzoic acid Chemical Properties,Usage,Production
Uses
3-Bromo-4-ethylbenzoic Acid is used in synthesis of benzocarbacephem and benzocarbapenem derivatives as inactivators of β-lactamases.
Synthesis
619-64-7
99548-53-5
The general procedure for the synthesis of 3-bromo-4-ethylbenzoic acid from 4-ethylbenzoic acid was as follows: bromine (7 mL, 0.14 mol) was slowly added to a mixed solution of acetic acid (300 mL), nitric acid (65 mL) and water (50 mL) containing 4-ethylbenzoic acid (15.0 g, 0.10 mol). A solution of silver nitrate (17.0 g, 0.10 mmol) in water (50 mL) was added dropwise to the reaction system under vigorous stirring. The reaction mixture was stirred continuously at room temperature overnight, during which a yellow solid precipitated. The precipitate was collected by filtration, washed well with water and extracted several times with chloroform (CHCl3). The organic phases were combined, washed with water and the solvent was removed by distillation under reduced pressure to afford 3-bromo-4-ethylbenzoic acid as a white solid (11.8 g, 52% yield). The structure of the product was confirmed by 1H NMR (300 MHz, CDCl3): δ 1.26 ppm (t, 3H, J = 7.8 Hz); 2.83 ppm (q, 2H, J = 7.8 Hz); 7.34 ppm (d, 1H, J = 8.1 Hz); 7.97 ppm (dd, 1H, J = 8.1, 1.8 Hz); 8.27 ppm (d, 1H, J = 1.8 Hz).
References
[1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 3, p. 750 - 756
[2] Tetrahedron, 2008, vol. 64, # 52, p. 11852 - 11859
[3] Patent: WO2007/42321, 2007, A2. Location in patent: Page/Page column 49
[4] Patent: WO2016/25382, 2016, A2. Location in patent: Paragraph 00165; 00166; 00167
[5] Patent: WO2004/35556, 2004, A1. Location in patent: Page 25
3-broMo-4-ethylbenzoic acid Preparation Products And Raw materials
Raw materials
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