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| | Methyl 3-(bromomethyl)benzoate Basic information |
| | Methyl 3-(bromomethyl)benzoate Chemical Properties |
| Melting point | 46-47 °C(lit.) | | Boiling point | 112-114 °C3 mm Hg(lit.) | | density | 1,47 g/cm3 | | Fp | 115°C/0.8mm | | storage temp. | 2-8°C | | form | Crystals or Crystalline Powder | | color | White | | Water Solubility | Slightly soluble in water. | | BRN | 638569 | | InChI | InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3 | | InChIKey | YUHSMQQNPRLEEJ-UHFFFAOYSA-N | | SMILES | C(OC)(=O)C1=CC=CC(CBr)=C1 | | CAS DataBase Reference | 1129-28-8(CAS DataBase Reference) | | NIST Chemistry Reference | Methyl 3-bromomethylbenzoate(1129-28-8) |
| Hazard Codes | C,Xi | | Risk Statements | 22-34-43 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 2 | | F | 19 | | Hazard Note | Irritant/Corrosive | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29163990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Acute Tox. 4 Oral
Skin Corr. 1B
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| | Methyl 3-(bromomethyl)benzoate Usage And Synthesis |
| Chemical Properties | white crystalline powder or crystals | | Uses | Methyl 3-(bromomethyl)benzoate is used in organic synthesis of other chemicals. | | Synthesis | General procedure for the synthesis of methyl 3-bromomethylbenzoate from methyl m-methylbenzoate: 30 mL of carbon tetrachloride (CCl4) and 7.9 g of methyl m-methylbenzoate were added to a dry 100 mL three-necked flask, and after dissolution, 0.23 g of AIBN (azobisisobutyronitrile) and 9.36 g of NBS (N-bromosuccinimide) were sequentially added in three additions (with an interval of about 2-3 hours). The reaction system was heated to 70°C and the color of the reaction solution was observed to change gradually from yellow to orange and finally to white. The reaction was monitored by TLC (eluent: cyclohexane/ethyl acetate = 5:1) until the reaction was almost complete. At the end of the reaction, the resulting succinimide and unreacted N-bromosuccinimide were removed by filtration. The filtrate was rotary evaporated to give 11.5 g of a yellow oily product, methyl 3-bromomethylbenzoate, in 95% yield. | | References | [1] Organic and Biomolecular Chemistry, 2003, vol. 1, # 14, p. 2506 - 2511
[2] Patent: CN106146413, 2016, A. Location in patent: Paragraph 0027; 0028
[3] European Journal of Medicinal Chemistry, 2009, vol. 44, # 1, p. 7 - 17
[4] Molecules, 2016, vol. 21, # 12,
[5] Patent: WO2018/169777, 2018, A1. Location in patent: Paragraph 0227 |
| | Methyl 3-(bromomethyl)benzoate Preparation Products And Raw materials |
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