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CC1OC2=CC=CC=C2O1Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-methyl-1,3-benzodioxole |
|---|---|
| IUPAC Name | — |
| CAS Number | 14046-39-0 |
| Database ID | 84167 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-methyl-1,3-benzodioxole (CAS 14046-39-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 84167
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-051e9b06c6064248932db68b1d4a9d31Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-87f1896563a44626bc1d8dc6d1d958a3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The synthesis of 2-methyl-1,3-benzodioxole is conducted by the procedure of Nichols and Kostuba (J. Med. Chem 22:1264 (1979)). A solution of 10.3 g (76 mmol) of 2-methyl-1,3-benzodioxole and 21 ml of acetic anhydride is treated with 3.5 ml BF3 etherate at 0° C. for 24 hr and at −20° C. for three days. The reaction solution is poured into 250 ml 1M Na2CO3 and extracted with ether. The ether is dried over Na2SO4, then removed under reduced pressure. Purification and distillation under reduced pressure yields the ketone, 5-acetyl-2-methyl-1,3-benzodioxole. extracted with ether The ether is dried over Na2SO4 removed under reduced pressure Purification and distillation under reduced pressure
Source ID: ord-6102218f37674d5a92bdf8f8d92e9ee1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The synthesis of 2-methyl-1,3-benzodioxole is conducted by the procedure of Nichols and Kostuba (J. Med. Chem 22:1264 (1979)). A solution of 10.3 g (76 mmol) of 2-methyl-1,3-benzodioxole and 21 ml of acetic anhydride is treated with 3.5 ml BF3 etherate at 0° C. for 24 hr and at -20° C. for three days. The reaction solution is poured into 250 ml 1M Na2CO3 and extracted with ether. The ether is dried over Na2SO4, then removed under reduced pressure. Purification and distillation under reduced pressure yields the ketone, 5-acetyl-2-methyl-1,3-benzodioxole. extracted with ether The ether is dried over Na2SO4 removed under reduced pressure Purification and distillation under reduced pressure
Source ID: ord-69eac4ee06d6496ca513ffd447f11372Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-051e9b06c6064248932db68b1d4a9d31Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-87f1896563a44626bc1d8dc6d1d958a3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 27.2 g of 2-methyl-1,3-benzodioxole, dissolved in 150 ml of glacial acetic acid, were nitrated at 15°-25° C. with 18 ml of nitric acid (d=1.4) in 50 ml of glacial acetic acid. The precipitated crystals were removed by filtration under suction and recrystallized from methanol. There were obtained 28.8 g (79.6% of theory) of 2-methyl-5-nitro-1,3-benzodioxole of melting point 84°-95° C. after sublimation at 0.1 mm/70° C. The precipitated crystals were removed by filtration under suction recrystallized from methanol
Source ID: ord-85e5dd092d2b4dadaeedcdf93015c86bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of methylene chloride (130 L), concentrated HCl (130 L), and tetrabutylammonium bromide (1.61 Kg) was added 5 methylbenzo[d][1,3]dioxole (10 Kg) followed by the slow addition of formaldehyde (14 L, 37 wt % in water). The mixture was stirred overnight. The organic layer was separated, dried with magnesium sulfate and concentrated to an oil. Hexane (180 L) was added and the mixture heated to boiling. The hot hexane solution was decanted from a heavy oily residue and evaporated to give almost pure 5-chloromethyl-6-methylbenzo[d][1,3]dioxole as a white solid. Recrystallization from hexane (50 L) gave 5-chloromethyl-6-methylbenzo[d][1,3]dioxole (80% recovery after recrystallization). The organic layer was separated dried with magnesium sulfate concentrated to an oil Hexane (180 L) was added the mixture heated to boiling The hot hexane solution was decanted from a heavy oily residue evaporated
Source ID: ord-a8539749e57045f48562d99a5d4e6f99Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The synthesis of 2-methyl-1,3-benzodioxole is conducted by the procedure of Nichols and Kostuba (J. Med. Chem 22:1264 (1979)). A solution of 10.3 g (76 mmol) of 2-methyl-1,3-benzodioxole and 21 ml of acetic anhydride is treated with 3.5 ml BF3 etherate at 0° C. for 24 hr and at -20° C. for three days. The reaction solution is poured into 250 ml 1M Na2CO3 and extracted with ether. The ether is dried over Na2SO4, then removed under reduced pressure. Purification and distillation under reduced pressure yields the ketone, 5-acetyl-2-methyl-1,3-benzodioxole. extracted with ether The ether is dried over Na2SO4 removed under reduced pressure Purification and distillation under reduced pressure
Source ID: ord-f06f439d99de4b3fbd44c82f45439019Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The synthesis of 2-methyl-1,3-benzodioxole is conducted by the procedure of Nichols and Kostuba (J. Med. Chem 22:1264 (1979)). A solution of 10.3 g (76 mmol) of 2-methyl-1,3-benzodioxole and 21 ml of acetic anhydride is treated with 3.5 ml BF3 etherate at 0° C. for 24 hr and at -20° C. for three days. The reaction solution is poured into 250 ml 1M Na2CO3 and extracted with ether. The ether is dried over Na2SO4, then removed under reduced pressure. Purification and distillation under reduced pressure yields the ketone, 5-acetyl-2-methyl-1,3-benzodioxole. extracted with ether The ether is dried over Na2SO4 removed under reduced pressure Purification and distillation under reduced pressure
Source ID: ord-49d57ab546104ca985b7b2183c0de030Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The synthesis of 2-methyl-1,3-benzodioxole is conducted by the procedure of Nichols and Kostuba (J. Med. Chem 22:1264 (1979)). A solution of 10.3 g (76 mmol) of 2-methyl-1,3-benzodioxole and 21 ml of acetic anhydride is treated with 3.5 ml BF3 etherate at 0° C. for 24 hr and at −20° C. for three days. The reaction solution is poured into 250 ml 1M Na2CO3 and extracted with ether. The ether is dried over Na2SO4, then removed under reduced pressure. Purification and distillation under reduced pressure yields the ketone, 5-acetyl-2-methyl-1,3-benzodioxole. extracted with ether The ether is dried over Na2SO4 removed under reduced pressure Purification and distillation under reduced pressure
Source ID: ord-6102218f37674d5a92bdf8f8d92e9ee1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The synthesis of 2-methyl-1,3-benzodioxole is conducted by the procedure of Nichols and Kostuba (J. Med. Chem 22:1264 (1979)). A solution of 10.3 g (76 mmol) of 2-methyl-1,3-benzodioxole and 21 ml of acetic anhydride is treated with 3.5 ml BF3 etherate at 0° C. for 24 hr and at -20° C. for three days. The reaction solution is poured into 250 ml 1M Na2CO3 and extracted with ether. The ether is dried over Na2SO4, then removed under reduced pressure. Purification and distillation under reduced pressure yields the ketone, 5-acetyl-2-methyl-1,3-benzodioxole. extracted with ether The ether is dried over Na2SO4 removed under reduced pressure Purification and distillation under reduced pressure
Source ID: ord-69eac4ee06d6496ca513ffd447f11372PubChem References
These sources are listed in the compound's public database record.
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