No renderable structure data available
CC1=C(C(=CC=C1)C)C2=CC=CC=C2Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1,3-dimethyl-2-phenylbenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 3976-34-9 |
| Database ID | 138090 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1,3-dimethyl-2-phenylbenzene (CAS 3976-34-9) 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 138090
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:25.01; pressure:0.00; stir:
Source ID: ord-333b7c14691d4bbfa3a92e2f50cda153Conditions: temp:110.01; pressure:0.00; stir:
Source ID: ord-a26cf31a9c1c479ab7b9904bed7e20bdConditions: temp:180.01; pressure:0.00; stir:
Source ID: ord-7d254018b96549d08780ee4046a2b69dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-d2246ad635c449c183673ec7521b9d11Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-f614fd4d1e1a4e179b1cc44e44e05fdaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-d2246ad635c449c183673ec7521b9d11Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-d2246ad635c449c183673ec7521b9d11Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-8f2edbc158954db2ab0bd5cefee7a7ffConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-8f2edbc158954db2ab0bd5cefee7a7ffConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The 'tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The 'tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-7e988e5d77bd4b8db5d07781ca439992Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-3abb1d1ece1a4d568e9cffa9022ef06fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: An oven dried resealable Schlenk tube was evacuated and backfilled with argon and charged with palladium acetate (2.2 mg, 0.01 mmol, 1.0 mol %), 2-(di-tert-butylphosphino)biphenyl (6.0 mg, 0.020 mmol, 2.0 mol %), phenylboronic acid (183 mg, 1.5 mmol), and potassium fluoride (174 mg, 3.0 mmol). The tube was evacuated and backfilled with argon, and THF (1 mL) and 2-bromo-m-xylene (0.144 mL, 1.0 mmol) were added through a rubber septum. The tube was sealed with a teflon screwcap, and the reaction mixture was stirred at 65° C. until the starting aryl bromide had been completely consumed as judged by GC analysis. The reaction mixture was then diluted with ether (30 mL), filtered through celite, and concentrated. The crude material was purified by flash chromatography on silica gel to afford 144 mg (79%) of the title compound. An oven dried resealable Schlenk tube was evacuated The tube was evacuated were added through a rubber septum had been completely consumed The reaction mixture was then diluted with ether (30 mL) filtered through celite concentrated The crude material was purified by flash chromatography on silica gel
Source ID: ord-09769724cae943bdb453650504fa32bePubChem References
These sources are listed in the compound's public database record.
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