No renderable structure data available
CC1=CC(=C(C=C1)C(C)C)SChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 5-methyl-2-propan-2-ylbenzenethiol |
|---|---|
| IUPAC Name | — |
| CAS Number | 90927-71-2 |
| Database ID | 21222518 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
5-methyl-2-propan-2-ylbenzenethiol (CAS 90927-71-2) 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 21222518
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-e0553e07a3c948c284c545192695deccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6-phenyl-6-(2-phenylethyl)-2H-pyran-2-one (prepared in example BBB), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 66°-67° C.). 1H NMR (DMSO-d6) δ 1.16 (m, 6 H), 1.87 (s, 3 H), 2.26 (m, 3 H), 2.57 (m, 1 H), 3.23 (m, 1 H), 3.43 (q, 2 H), 6.01 (bs, 1 H), 6.78 (d, 1 H), 7.03-7.27 (m, 6 H), 7.37-7.47 (m, 5 H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-583bff4d2fd54e288f236636a5317eebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one (prepared in example AAA), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 183°-184° C.). 1H NMR (DMSO-d6) δ 1.15 (d, 6 H), 1.85 (s, 3 H), 3.22 (m, 1 H), 3.80 (bs, 2 H), 5.88 (bs, 1 H), 6.77 (d, 1 H), 7.03 (d, 1 H), 7.32-7.47 (m, 10 H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-2216399a09d241e886a791b668b1f889Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e0553e07a3c948c284c545192695deccConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-e0553e07a3c948c284c545192695deccConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6-phenyl-6-(2-phenylethyl)-2H-pyran-2-one (prepared in example BBB), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 66°-67° C.). 1H NMR (DMSO-d6) δ1.16 (m, 6H), 1.87 (s, 3H), 2.26 (m, 3H), 2.57 (m, 1H), 3.23 (m, 1H), 3.43 (q, 2H), 6.01 (bs, 1H), 6.78 (d, 1H), 7.03-7.27 (m, 6H), 7.37-7.47 (m, 5H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-6945ad7e8c8c4580a5c80d04d94a6ff9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one (prepared in example AAA), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 183°-184° C.). 1H NMR (DMSO-d6) δ1.15 (d, 6H), 1.85 (s, 3H), 3.22 (m, 1H), 3.80 (bs, 2H), 5.88 (bs, 1H), 6.77 (d, 1H), 7.03 (d, 1H), 7.32-7.47 (m, 10H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-5523b764d14649bf9c5f8ad3467e153bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one (prepared in example AAA), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 183°-184° C.). 1H NMR (DMSO-d6) δ1.15 (d, 6H), 1.85 (s, 3H), 3.22 (m, 1H), 3.80 (bs, 2H), 5.88 (bs, 1H), 6.77 (d, 1H), 7.03 (d, 1H), 7.32-7.47 (m, 10H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-5523b764d14649bf9c5f8ad3467e153bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6-phenyl-6-(2-phenylethyl)-2H-pyran-2-one (prepared in example BBB), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 66°-67° C.). 1H NMR (DMSO-d6) δ 1.16 (m, 6 H), 1.87 (s, 3 H), 2.26 (m, 3 H), 2.57 (m, 1 H), 3.23 (m, 1 H), 3.43 (q, 2 H), 6.01 (bs, 1 H), 6.78 (d, 1 H), 7.03-7.27 (m, 6 H), 7.37-7.47 (m, 5 H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-583bff4d2fd54e288f236636a5317eebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one (prepared in example AAA), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 183°-184° C.). 1H NMR (DMSO-d6) δ 1.15 (d, 6 H), 1.85 (s, 3 H), 3.22 (m, 1 H), 3.80 (bs, 2 H), 5.88 (bs, 1 H), 6.77 (d, 1 H), 7.03 (d, 1 H), 7.32-7.47 (m, 10 H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-2216399a09d241e886a791b668b1f889Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one (prepared in example AAA), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 183°-184° C.). 1H NMR (DMSO-d6) δ 1.15 (d, 6 H), 1.85 (s, 3 H), 3.22 (m, 1 H), 3.80 (bs, 2 H), 5.88 (bs, 1 H), 6.77 (d, 1 H), 7.03 (d, 1 H), 7.32-7.47 (m, 10 H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-2216399a09d241e886a791b668b1f889Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The title compound was prepared as described in General Method 6 from 2.0 mmol of 3-bromo-5,6-dihydro-4-hydroxy-6,6-diphenyl-2H-pyran-2-one (prepared in example AAA), 2.1 mmol of 5-methyl-2-isopropylbenzenethiol, and 2.1 mmol of piperidine in 30 mL of dichloromethane. The product was chromatographed on silica gel, eluting first with chloroform and then with 5% methanol in chloroform (m.p. 183-184° C.). 1H NMR (DMSO-d6) δ 1.15 (d, 6 H), 1.85 (s, 3 H), 3.22 (m, 1 H), 3.80 (bs, 2 H), 5.88 (bs, 1 H), 6.77 (d, 1 H), 7.03 (d, 1 H), 7.32-7.47 (m, 10 H). The product was chromatographed on silica gel eluting first with chloroform
Source ID: ord-1df2ffef0b0142dc93f49e2bff45568fPubChem References
These sources are listed in the compound's public database record.
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