methyl 5-bromo-2-methyl-benzoate
- Product Name
- methyl 5-bromo-2-methyl-benzoate
- CAS No.
- 79669-50-4
- Chemical Name
- methyl 5-bromo-2-methyl-benzoate
- Synonyms
- Methyl 5-bromo-2-methylbenzoate;5-bromo-2-methyl-benzoic acid methyl ester;methyl 5-bromo-2-met;Methyl 5-bromo-o-toluate;Methyl 2-Methyl-5-Bromobenzoate;5-Bromo-o-toluic Acid Methyl Ester;Methyl5-bromo-2-methylbenzoate,98%;Methyl 5-Bromo-2-methylbenzoate >Benzoic acid, 5-bromo-2-methyl-, methyl ester;methyl 5-bromo-2-methyl-benzoate ISO 9001：2015 REACH
- CBNumber
- CB81456594
- Molecular Formula
- C9H9BrO2
- Formula Weight
- 229.07
- MOL File
- 79669-50-4.mol
methyl 5-bromo-2-methyl-benzoate Property
- Melting point:
- 46.0 to 50.0 °C
- Boiling point:
- 265°C(lit.)
- Density
- 1.433±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- color
- Pale yellow
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
- InChIKey
- FDCYLMYCHALQJR-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC(Br)=CC=C1C
Safety
- HazardClass
- IRRITANT
- HS Code
- 2916310090
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.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- M2542
- Product name
- Methyl 5-Bromo-2-methylbenzoate
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $18
- Updated
- 2025/07/31
- Product number
- M2542
- Product name
- Methyl 5-Bromo-2-methylbenzoate
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $78
- Updated
- 2025/07/31
- Product number
- M295938
- Product name
- Methyl 5-Bromo-2-methylbenzoate
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- 455665
- Product name
- Methyl 5-bromo-2-methylbenzoate
- Packaging
- 100mg
- Price
- $305
- Updated
- 2021/12/16
- Product number
- OR301032
- Product name
- Methyl 5-Bromo-2-methylbenzoate
- Packaging
- 25g
- Price
- $57
- Updated
- 2021/12/16
methyl 5-bromo-2-methyl-benzoate Chemical Properties,Usage,Production
Chemical Properties
Orange-red powder or solid
Uses
Methyl 5-bromo-2-methylbenzoate is used as a catalytic agent, petrochemical additive
Synthesis
67-56-1
79669-49-1
79669-50-4
5-Bromo-2-methylbenzoic acid (1.0 g, 4.7 mmol) was placed in a 200 mL round-bottomed flask under nitrogen protection and methanol was added via syringe. A hexane solution of 2 M diazomethyltrimethylsilane (3.5 mL, 23.0 mmol) was slowly added dropwise over 10 min and the reaction mixture was stirred for 1 h at room temperature. Subsequently, glacial acetic acid (16 mL) was added and stirring was continued for 45 minutes. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (100 mL) and washed sequentially with 1 M aqueous sodium hydroxide solution (30 mL), saturated aqueous sodium bicarbonate solution (30 mL) and brine (30 mL). The organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give methyl 5-bromo-2-methylbenzoate 1.01 g (99% yield). Methyl 5-bromo-2-methylbenzoate (1.04 g, 4.5 mmol) was placed in a 50 mL round-bottom flask under nitrogen protection and carbon tetrachloride (15 mL) was added. Subsequently, N-bromosuccinimide (1.49 g, 8.3 mmol) and 2,2'-azobisisobutyronitrile (40 mg, 0.2 mmol) were added, a condenser was mounted, and the reaction was refluxed for 4 hours. After completion of the reaction, it was cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure and the crude product was pre-adsorbed through silica gel. The residue was purified by silica gel column chromatography using a gradient elution with a hexane solution of dichloromethane (0 to 50%) to afford methyl 5-bromo-2-bromomethylbenzoate 977 mg (70% yield). Methyl 5-bromo-2-bromomethylbenzoate (0.984 g, 3.20 mmol) and the method described in Part I were used to replace the synthetic step of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one, which was prepared to give 509 mg of methyl 2-methyl-5-bromobenzoate (75% yield).
References
[1] Patent: WO2005/73205, 2005, A1. Location in patent: Page/Page column 27-28
[2] Patent: WO2014/76104, 2014, A1. Location in patent: Page/Page column 62-63
[3] Patent: CN107474006, 2017, A. Location in patent: Paragraph 0050-0052; 0056-0058; 0062-0064; 0068-0073
[4] Patent: WO2011/80718, 2011, A1. Location in patent: Example 2
[5] Patent: WO2017/46318, 2017, A1. Location in patent: Page/Page column 47
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View Lastest Price from methyl 5-bromo-2-methyl-benzoate manufacturers
- Product
- methyl 5-bromo-2-methyl-benzoate 79669-50-4
- Price
- US $0.00/Kg/Drum
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 500KGS
- Release date
- 2021-07-31
- Product
- methyl 5-bromo-2-methyl-benzoate 79669-50-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2019-12-31