No renderable structure data available
CC1=CC(=C(C=C1)C(C)C)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 5-methyl-2-propan-2-ylphenol |
|---|---|
| IUPAC Name | — |
| CAS Number | 89-83-8 |
| Database ID | 6989 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
5-methyl-2-propan-2-ylphenol (CAS 89-83-8) 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 6989
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-d5b63091b0d0493687c3b2f1d1a4cc0fConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d5b63091b0d0493687c3b2f1d1a4cc0fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-isopropyl-5-methylphenol was reacted with sodium hydride and thiophosphoryl chloride using the procedure of Example 21 to form bis(2-isopropyl-5-methylphenyl) chlorothiophosphate (31PNMR, singlet, 57 ppm). This compound was reacted with diphenylphosphonothioic amide by the General Method C(ii) (THF) yielding the compound of Formula I in which R1 =R2 =phenyl and R3 =R4 =2-isopropyl-5-methylphenoxy. Yield 63%; titration purity, 90%, MW593; 31PNMR, quartet 53ppm. Test 2 (Table 2) showed that the product is a very strong extractant for zinc; however on long standing it crystallised from ESCAID® solution.
Source ID: ord-1ade696d41b14a8697f345a89fba609bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-isopropyl-5-methylphenol was reacted with sodium hydride and thiophosphoryl chloride using the procedure of Example 21 to form bis(2-isopropyl-5-methylphenyl) chlorothiophosphate (31PNMR, singlet, 57 ppm). This compound was reacted with diphenylphosphonothioic amide by the General Method C(ii) (THF) yielding the compound of Formula I in which R1 =R2 =phenyl and R3 =R4 =2-isopropyl-5-methylphenoxy. Yield 63%; titration purity, 90%, MW593; 31PNMR, quartet 53ppm. Test 2 (Table 2) showed that the product is a very strong extractant for zinc; however on long standing it crystallised from ESCAID® solution.
Source ID: ord-1ade696d41b14a8697f345a89fba609bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-isopropyl-5-methylphenol was reacted with sodium hydride and thiophosphoryl chloride using the procedure of Example 21 to form bis(2-isopropyl-5-methylphenyl) chlorothiophosphate (31PNMR, singlet, 57 ppm). This compound was reacted with diphenylphosphonothioic amide by the General Method C(ii) (THF) yielding the compound of Formula I in which R1 =R2 =phenyl and R3 =R4 =2-isopropyl-5-methylphenoxy. Yield 63%; titration purity, 90%, MW593; 31PNMR, quartet 53 ppm. Test 2 (Table 2) showed that the product is a very strong extractant for zinc; however on long standing it crystallised from ESCAID solution.
Source ID: ord-1d73426a0bb148929afdbb5aba4e1df7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-isopropyl-5-methylphenol was reacted with sodium hydride and thiophosphoryl chloride using the procedure of Example 21 to form bis(2-isopropyl-5-methylphenyl) chlorothiophosphate (31PNMR, singlet, 57 ppm). This compound was reacted with diphenylphosphonothioic amide by the General Method C(ii) (THF) yielding the compound of Formula I in which R1 =R2 =phenyl and R3 =R4 =2-isopropyl-5-methylphenoxy. Yield 63%; titration purity, 90%, MW593; 31PNMR, quartet 53 ppm. Test 2 (Table 2) showed that the product is a very strong extractant for zinc; however on long standing it crystallised from ESCAID solution.
Source ID: ord-1d73426a0bb148929afdbb5aba4e1df7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-isopropyl-5-methylphenol was reacted with sodium hydride and thiophosphoryl chloride using the procedure of Example 21 to form bis(2-isopropyl-5-methylphenyl) chlorothiophosphate (31PNMR, singlet, 57 ppm). This compound was reacted with diphenylphosphonothioic amide by the General Method C(ii) (THF) yielding the compound of Formula I in which R1 =R2 =phenyl and R3 =R4 =2-isopropyl-5-methylphenoxy. Yield 63%; titration purity, 90%, MW593; 31PNMR, quartet 53ppm. Test 2 (Table 2) showed that the product is a very strong extractant for zinc; however on long standing it crystallised from ESCAID® solution.
Source ID: ord-1ade696d41b14a8697f345a89fba609bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 830 mg of 2,3-Dihydro-5-methyl-6-phenyl-benzofuran and 100 mg of palladium on charcoal are refluxed for 48 hours in 10 ml of freshly distilled p-cymol. After cooling, the mixture is filtered through talc and the filtrate evaporated. The residue is chromatographed on 15 g of Kieselgel. 5-Methyl-6-phenyl-benzofuran is eluted with toluene as a uniformly oily liquid. After cooling the mixture is filtered through talc the filtrate evaporated The residue is chromatographed on 15 g of Kieselgel 5-Methyl-6-phenyl-benzofuran is eluted with toluene as a uniformly oily liquid
Source ID: ord-67a355f8859546deb5ea877ee89ccfc2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thymol--10% in Diethyl Phthalate: 2%
Source ID: ord-60c2d43d1b6f4c9b864350cd9d9bc64fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 2-isopropyl-5-methylphenol was reacted with sodium hydride and thiophosphoryl chloride using the procedure of Example 21 to form bis(2-isopropyl-5-methylphenyl) chlorothiophosphate (31PNMR, singlet, 57 ppm). This compound was reacted with diphenylphosphonothioic amide by the General Method C(ii) (THF) yielding the compound of Formula I in which R1 =R2 =phenyl and R3 =R4 =2-isopropyl-5-methylphenoxy. Yield 63%; titration purity, 90%, MW593; 31PNMR, quartet 53 ppm. Test 2 (Table 2) showed that the product is a very strong extractant for zinc; however on long standing it crystallised from ESCAID solution.
Source ID: ord-6780bd14b0b34526b70c2eaf4a175924Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 830 mg of 2,3-Dihydro-5-methyl-6-phenyl-benzofuran and 100 mg of palladium on charcoal are refluxed for 48 hours in 10 ml of freshly distilled p-cymol. After cooling, the mixture is filtered through talc and the filtrate evaporated. The residue is chromatographed on 15 g of Kieselgel. 5-Methyl-6-phenyl-benzofuran is eluted with toluene as a uniformly oily liquid. After cooling the mixture is filtered through talc the filtrate evaporated The residue is chromatographed on 15 g of Kieselgel 5-Methyl-6-phenyl-benzofuran is eluted with toluene as a uniformly oily liquid
Source ID: ord-67a355f8859546deb5ea877ee89ccfc2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thymol--10% in Diethyl Phthalate: 2%
Source ID: ord-60c2d43d1b6f4c9b864350cd9d9bc64fPubChem References
These sources are listed in the compound's public database record.
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