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CC1=C(C=C(C=C1)CO)IChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | (3-iodo-4-methylphenyl)methanol |
|---|---|
| IUPAC Name | — |
| CAS Number | 165803-89-4 |
| Database ID | 5166798 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(3-iodo-4-methylphenyl)methanol (CAS 165803-89-4) 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 5166798
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-5eda7806364e4ed0baea748205c99fb9Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-82d9d42c9740459c822dcadd3ec07b20Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-38ef0b3b8b91463b90ac2509a170e0b0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-6a966d0d97604608955b0fda1b0b7e26Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-686a55d340924f55a1bcd45afcd2f064Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-8db1099a69a643ecb3fd7f0129c54d7cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-ce5abc58716640fcab829b36fc17100bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-71ff1bb5c1384e3e97d2dc9fe63d130aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-92084d26986842dba03eb83461b40b90Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5.0 g (19.1 mmol) of 2-iodo-3-methyl benzoic acid in 50 mL of anhydrous tetrahydrofuran, was slowly added 22 mL of a 1M borane solution in tetrahydrofuran. The resultant reaction mixture was reacted for approximately ninety minutes and then was quenched with ethanol resulting in the evolution of hydrogen gas. The mixture was diluted with ethyl acetate. The resulting layers were separated and the organic layer was washed sequentially with sodium bicarbonate and brine, dried over sodium sulfate, filtered and crystallized from a hexane/ethyl acetate mixture to provide 120 mg of the desired subtitled compound. The resultant reaction mixture was reacted for approximately ninety minutes was quenched with ethanol resulting in the evolution of hydrogen gas The mixture was diluted with ethyl acetate The resulting layers were separated the organic layer was washed sequentially with sodium bicarbonate and brine dried over sodium sulfate filtered crystallized from a hexane/ethyl acetate mixture
Source ID: ord-9e4d16720b584f50b856ee03d5343315Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5eda7806364e4ed0baea748205c99fb9Conditions: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of compound PPP, (3-iodo-4-methyl-phenyl)-methanol, (4 g, 16.12 mmol) and phenylboronic acid (2.06 g, 16.89 mmol) in 1-propanol (30 mL) was successively added palladium(II) acetate (0.01276 g, 0.05 mmol), triphenyl phosphine (0.042 g, 0.161 mmol), aq. sodium carbonate solution (2 M, 11.44 mL, 22.88 mmol), and water (6 mL). The mixture was heated to 100° C. until reaction is complete (tlc), cooled, quenched with water (20 mL) and extracted into ethyl acetate (3×50 mL). Combined organic layer was washed with 2% aq. sodium bicarbonate (2×25 mL), brine (1×50 mL), dried (MgSO4) and concentrated to yield 2.82 g of (6-methyl-biphenyl-3-yl)-methanol, compound QQQ, that was directly taken into next step without any further purification; Rt: 10.95 min. cooled quenched with water (20 mL) extracted into ethyl acetate (3×50 mL) Combined organic layer was washed with 2% aq. sodium bicarbonate (2×25 mL), brine (1×50 mL) dried (MgSO4) concentrated
Source ID: ord-317df5cd4eb34632a371a9c245d9c4e2PubChem References
These sources are listed in the compound's public database record.
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