| Identification | Back Directory | [Name]
3-BROMO-2-METHOXYBENZOIC ACID 97 | [CAS]
101084-39-3 | [Synonyms]
3-Bromo-o-anisic Acid
3-BROMO-2-METHOXYBENZOIC
3-BROMO-2-METHOXYBENZOIC ACID 97
Benzoic acid, 3-bromo-2-methoxy-
3-Bromo-2-methoxybenzoic acid 97% | [Molecular Formula]
C8H7BrO3 | [MDL Number]
MFCD00045840 | [MOL File]
101084-39-3.mol | [Molecular Weight]
231.044 |
| Chemical Properties | Back Directory | [Melting point ]
121-123 | [Boiling point ]
327.6±27.0 °C(Predicted) | [density ]
1.625±0.06 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
3.70±0.10(Predicted) | [color ]
White to Light yellow | [InChI]
1S/C8H7BrO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) | [InChIKey]
PIBPHOFXQUUPTM-UHFFFAOYSA-N | [SMILES]
COc1c(Br)cccc1C(O)=O |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [Hazard Codes ]
Xi,T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3 | [Hazard Note ]
Irritant/Keep Cold | [HazardClass ]
6.1 | [PackingGroup ]
Ⅲ | [HS Code ]
2918999090 | [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 | [Uses]
3-Bromo-2-methoxybenzoic Acid is a reactant that has been used in the preparation of biphenylic carboxamides as potent and selective CB2 receptor ligands. | [Synthesis]
General procedure for the synthesis of 3-bromo-2-methoxybenzoic acid from 3-bromo-2-hydroxybenzoic acid (360 g, 1.65 mol) and dimethyl sulfate (443 g, 3.50 mol): 3-bromo-2-hydroxybenzoic acid was added to a reaction vessel and acetone (1.8 L) was added as a solvent. Subsequently, anhydrous potassium carbonate (552 g, 4.0 mol) was added to the reaction system and dimethyl sulfate was added slowly and dropwise. The reaction mixture was carried out under reflux conditions until thin layer chromatography (TLC) showed the disappearance of the raw material. After completion of the reaction, the solid phase was washed with acetone, the organic phases were combined and concentrated. The concentrate was diluted with ethyl acetate, washed sequentially with water and saturated brine and finally dried with anhydrous sodium sulfate. The dried organic phase was filtered and concentrated to afford the target product 3-bromo-2-methoxybenzoic acid (355 g, 94% yield), which can be used directly in the next step of the reaction. | [References]
[1] Patent: CN106565625, 2017, A. Location in patent: Paragraph 0045-0046
[2] Journal of the Chemical Society, 1923, vol. 123, p. 1992 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Shanghai Ennopharm Co., Ltd.
|
| Telephone: |
+86 (21) 6435-5022 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm |
|