4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester
- Product Name
- 4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester
- CAS No.
- 1149388-19-1
- Chemical Name
- 4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester
- Synonyms
- Methyl 4-bromo-3-hydroxy-2-methylbenzoate;4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester;Benzoic acid, 4-bromo-3-hydroxy-2-methyl-, methyl ester
- CBNumber
- CB03160224
- Molecular Formula
- C9H9BrO3
- Formula Weight
- 245.07
- MOL File
- 1149388-19-1.mol
4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester Property
- Boiling point:
- 318.2±37.0 °C(Predicted)
- Density
- 1.548±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 7.96±0.15(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H9BrO3/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,11H,1-2H3
- InChIKey
- KJQPVKLURCKVPY-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(Br)C(O)=C1C
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
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
- 116173
- Product name
- Methyl 4-bromo-3-hydroxy-2-methylbenzoate
- Purity
- >97%
- Packaging
- 500mg
- Price
- $406
- Updated
- 2021/12/16
- Product number
- 116173
- Product name
- Methyl 4-bromo-3-hydroxy-2-methylbenzoate
- Purity
- >97%
- Packaging
- 1g
- Price
- $548
- Updated
- 2021/12/16
- Product number
- 7070DN
- Product name
- Methyl4-bromo-3-hydroxy-2-methylbenzoate
- Packaging
- 5g
- Price
- $574
- Updated
- 2021/12/16
- Product number
- CD12178244
- Product name
- Methyl4-bromo-3-hydroxy-2-methylbenzoate
- Purity
- 97%
- Packaging
- 5g
- Price
- $1020
- Updated
- 2021/12/16
- Product number
- 1149388191
- Product name
- Methyl4-bromo-3-hydroxy-2-methylbenzoate
- Packaging
- 5g
- Price
- $1030
- Updated
- 2021/12/16
4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester Chemical Properties,Usage,Production
Synthesis
55289-05-9
1149388-19-1
Step 2: A solution of bromine (773 μL, 15 mmol, dissolved in 15 mL of dichloromethane) was added dropwise to a solution of tert-butylamine (1.6 mL, 15 mmol) in dichloromethane (100 mL) at -78 °C. The reaction temperature of -78 °C was maintained and stirred for 30 min. Subsequently, a solution of methyl 3-hydroxy-2-methylbenzoate (2.5 g, 15 mmol, dissolved in 15 mL of dichloromethane) was added slowly and dropwise to the reaction mixture over a 30-minute period while maintaining the -78 °C condition. Upon completion of the reaction, the mixture was gradually warmed to room temperature and stirring was continued for 15 hours. The reaction mixture was washed sequentially with 20% aqueous citric acid and brine, and the organic phase was dried over anhydrous sodium sulfate. The drier was removed by filtration and the filtrate was concentrated under reduced pressure to give a brown residue. The residue was purified by silica gel column chromatography using 10% hexane solution of diethyl ether as eluent. The purified fractions were collected, combined and concentrated under reduced pressure to give 612 mg (2.5 mmol, 17% yield) of methyl 4-bromo-3-hydroxy-2-methylbenzoate as a colorless oil. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 7.37-7.29 (m, 2H), 5.71 (s, 1H), 3.81 (s, 3H), 2.53 (s, 3H). Mass spectrometry (EI) analysis was consistent with the molecular weight of C9H9BrO3: 245 (MH+).
References
[1] Patent: WO2016/34673, 2016, A1. Location in patent: Page/Page column 108
[2] Patent: WO2014/144380, 2014, A1. Location in patent: Paragraph 0482
[3] Patent: US2009/131468, 2009, A1. Location in patent: Page/Page column 40-41
[4] Patent: WO2009/64251, 2009, A1. Location in patent: Page/Page column 78
[5] Patent: WO2009/55077, 2009, A1. Location in patent: Page/Page column 401
4-Bromo-3-hydroxy-2-methyl-benzoic acid methyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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