| Identification | Back Directory | [Name]
METHYL 4-BROMO-2-METHOXYBENZOATE 98 | [CAS]
139102-34-4 | [Synonyms]
4-BROMO-2-METHOXYBENZOATE
2-methoxy-4-bromobenzoate
4-BROMO-2-METHOXYBENZOATE 98
Methyl 4-Bromo-2-methoxybenzoate >
METHYL 4-BROMO-2-METHOXYBENZOATE 98
Methyl 4-bromo-2-methoxybenzoate 98%
METHYL 4-BROMO-2-METHOXYBENZOATE, PURISS
Benzoic acid, 4-bromo-2-methoxy-, methyl ester | [Molecular Formula]
C9H9BrO3 | [MDL Number]
MFCD06797867 | [MOL File]
139102-34-4.mol | [Molecular Weight]
245.071 |
| Chemical Properties | Back Directory | [Melting point ]
33 °C(lit.)
| [Boiling point ]
52 °C0.01 mm Hg(lit.)
| [density ]
1.462±0.06 g/cm3(Predicted) | [refractive index ]
1.58 | [Fp ]
>230 °F
| [storage temp. ]
Room temperature. | [solubility ]
soluble in Toluene | [form ]
low-melting solid
| [color ]
White to Light yellow | [InChI]
1S/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3 | [InChIKey]
WPGAGRPPDYAZAD-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(Br)cc1OC |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29189900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
Methyl 4-bromo-2-methoxybenzoate is an organic compound, commonly used as an intermediate for medicines and pesticides, and also a raw material for organic synthesis. | [Synthesis]
The general procedure for the synthesis of methyl 4-bromo-2-methoxybenzoate from 2-hydroxy-4-bromobenzoic acid and iodomethane was as follows: 4-bromo-2-hydroxybenzoic acid (1.00 g, 4.61 mmol) was dissolved in acetone (25 mL), followed by the addition of iodomethane (1.15 mL, 18.4 mmol) and potassium carbonate (2.55 g, 18.4 mmol). The reaction mixture was heated to reflux and the reaction was continued overnight. After completion of the reaction, it was cooled to room temperature, filtered to remove insoluble material, and the filtrate was concentrated under reduced pressure to obtain the crude product. The crude product was purified by fast column chromatography (Biotage column, eluent: 10% ethyl acetate/hexane) to give 0.955 g (85% yield) of the target compound, methyl 4-bromo-2-methoxybenzoate, as a yellow oil. The product was analyzed by LC/MS showing a m/z of 245.0 (MH+) and a retention time of 3.13 min. 1H NMR (400 MHz, CD2Cl2) data were as follows: δ 3.84 (s, 3H), 3.90 (s, 3H), 7.12-7.20 (m, 2H), 7.62 (d, 1H). | [References]
[1] Journal of Medicinal Chemistry, 1992, vol. 35, # 4, p. 734 - 740
[2] Patent: WO2006/44775, 2006, A2. Location in patent: Page/Page column 17
[3] Patent: EP1445249, 2004, A1. Location in patent: Page 138 |
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Alfa Aesar
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Energy Chemical
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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