Reaction #4097373
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-3a208211aea6420e892bd30b49f3710bNo renderable structure data available
CC1=C(OC=C1)CChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2,3-dimethylfuran |
|---|---|
| IUPAC Name | — |
| CAS Number | 28802-49-5 |
| Database ID | 34337 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2,3-dimethylfuran (CAS 28802-49-5) 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 34337
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-3a208211aea6420e892bd30b49f3710bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-689ad3d63af84a6f92c1b2404ab08850Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e78e32417f524dc1ac9394b4e2725fb0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-0d8610eb941a4550bb0710d43279d9b1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-cc9e8638d7f04403b9c289de7be26d45Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: oxocane; 2,3-epoxybutane; 1,2-epoxybut-3-ene; styrene oxide; 2-ethylfuran; 2-tert-butylfuran; 2,3-dimethylfuran; 2,3-dihydrobenzofuran; dimethyl 3-furylmethyl borate; 2-trimethylsilylfuran; 3-trimethylsilylfuran; oxazole; 1,3,4-oxadiazole; 3,4-dichloro-1,2-epoxybutane; 3,4-dibromo-1,2-epoxybutane and the like.
Source ID: ord-97d619d6aa9d4d3690056ae0bf428992Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: According to the procedure of S. F. Martin, et al. J. Org. Chem. 1984, 49, 2512-2516, phosphorus oxychloride (10.7 mL, 114.4 mmol) was added dropwise to a stirred, ambient temperature solution of 2,3-dimethylfuran (10 g, 104 mmol) in DMF (150 mL) under a dry nitrogen atmosphere over a period of 30 min. After 3 h., the reaction mixture was hydrolized with 2.5 N aq. sodium hydroxide and further diluted with water (50 mL). Aqueous mixture was extracted with dichloromethane (2×300 mL). The combined dichloromethane extracts were washed with water, dried with brine and purified by silica gel flash chromatography (eluent: ethyl acetate) to provide a yellow oil (9.8 g, 76%); MS (ESI): [M+H]+, 125.1. Aqueous mixture was extracted with dichloromethane (2×300 mL) The combined dichloromethane extracts were washed with water dried with brine purified by silica gel flash chromatography (eluent: ethyl acetate)
Source ID: ord-f6996d1a08d04e1da4f54ba7347c4ec2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: According to the procedure of S. F. Martin, et al. J. Org. Chem. 1984, 49, 2512-2516, phosphorus oxychloride (10.7 mL, 114.4 mmol) was added dropwise to a stirred, ambient temperature solution of 2,3-dimethylfuran (10 g, 104 mmol) in DMF (150 mL) under a dry nitrogen atmosphere over a period of 30 min. After 3 h., the reaction mixture was hydrolized with 2.5 N aq. sodium hydroxide and further diluted with water (50 mL). Aqueous mixture was extracted with dichloromethane (2×300 mL). The combined dichloromethane extracts were washed with water, dried with brine and purified by silica gel flash chromatography (eluent: ethyl acetate) to provide a yellow oil (9.8 g, 76%); MS (ESI): [M+H]+, 125.1. Aqueous mixture was extracted with dichloromethane (2×300 mL) The combined dichloromethane extracts were washed with water dried with brine purified by silica gel flash chromatography (eluent: ethyl acetate)
Source ID: ord-f6996d1a08d04e1da4f54ba7347c4ec2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure in Example 5, step 1 using commercial 2,3-dimethylfuran (5.00 g, 52.0 mmol), commercial 4-bromobenzylbromide (13.0 g, 52.0 mmol) and 2.5M n-BuLi/hexanes (20.8 mL, 52.0 mmol) in THF. Purification on Biotage KP-Sil eluting with 1% EtOAc/pet. ether gave 5.72 g (41%) of the title compound. 1H NMR (DMSO-d6) δ1.84 (s, 3H), 2.09 (s, 3H), 3.83 (s, 2H), 5.87 (s, 1H), 7.17 (d, 2H), 7.49 (d, 2H). The title compound was prepared Purification on Biotage KP-Sil eluting with 1% EtOAc/pet. ether
Source ID: ord-db8cb295159347eeb7cf371040b0603dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure in Example 5, step 1 using commercial 2,3-dimethylfuran (5.00 g, 52.0 mmol), commercial 4-bromobenzylbromide (13.0 g, 52.0 mmol) and 2.5M n-BuLi/hexanes (20.8 mL, 52.0 mmol) in THF. Purification on Biotage KP-Sil eluting with 1% EtOAc/pet. ether gave 5.72 g (41%) of the title compound. 1H NMR (DMSO-d6) δ1.84 (s, 3H), 2.09 (s, 3H), 3.83 (s, 2H), 5.87 (s, 1H), 7.17 (d, 2H), 7.49 (d, 2H). The title compound was prepared Purification on Biotage KP-Sil eluting with 1% EtOAc/pet. ether
Source ID: ord-db8cb295159347eeb7cf371040b0603dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure in Example 5, step 1 using commercial 2,3-dimethylfuran (5.00 g, 52.0 mmol), commercial 3-bromobenzylbromide (13.0 g, 52.0 mmol) and 2.5M n-BuLi/hexanes (20.8 mL, 52.0 mmol) in THF. Purification on Biotage KP-Sil eluting with 1% EtOAc/pet. ether gave 12.63 g (85%) of the title compound. 1H NMR (DMSO-d6) δ1.85 (s, 3H), 2.10 (s, 3H), 3.86 (s, 2H), 5.90 (s, 1H), 7.21-7.30 (m, 2H), 7.34-7.47 (m, 2H). The title compound was prepared Purification on Biotage KP-Sil eluting with 1% EtOAc/pet. ether
Source ID: ord-980a3d9e14144ab6865306291fab8bb4Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared according to the procedure in Example 5, step 1 using commercial 2,3-dimethylfuran (1.00 g, 10.4 mmol), commercial 2-bromobenzylbromide (2.60 g, 10.4 mmol) and 1.6M n-BuLi/hexanes (4.16 mL, 10.4 mmol) in THF. Purification on Biotage KP-Sil eluting with 100% pet. ether gave 1.14 g (41%) of the title compound as a clear oil. 1H NMR (DMSO-d6) δ1.84 (s, 3H), 2.11 (s, 3H), 3.96 (s, 2H), 5.81 (s, 1H), 7.19 (dt, 1H), 7.26-7.37 (m, 2H), 7.60 (dd, 1H). The title compound was prepared Purification on Biotage KP-Sil eluting with 100% pet. ether
Source ID: ord-05ee94072a924775a239de635f912971PubChem References
These sources are listed in the compound's public database record.
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