HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 72428139, compound → Methyl 2-methyl-3-sulfanylbutanoate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 72428139 | HCID 72428139 | — |
| Solvent | Methanol | HCID 887 | — |
| Product | Methyl 2-methyl-3-sulfanylbutanoate | HCID 79398463 | 44% |
Reaction Steps
Conditions are the same as for Example 2, but with the product of Example 3 as the starting component and methanol as solvent; 44% yield. Odor: at 0.1 ppm in DPG—onions, green vegetable, peach, tropical fruit, metallic. GC/MS (EI): m/z (%) 148(46), 115(25), 88(100), 61(64), 59(100). 1H NMR (CDCl3): δ 3.69 (s mix of isomers, 3H), 3.13-3.30 (m, 1H), 2.48-2.58 (m, 1H), 1.66 & 1.51 (2d, J=7.34 Hz, 1H mix of diastereomers), 1.31-1.34 (2d mix of isomers, J=6.87 Hz, 3H), 1.18-1.27 (2d mix of isomers, J=6.87 Hz, 3H). 13C NMR (CDCl3) for mix of diastereomers: δ 175.0, 51.9, 51.6, 48.7, 47.6, 37.7, 37.1, 23.5, 21.9, 14.3, 13.5.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08445051B2 |
| Source dataset | uspto-grants-2013_05 |
| ORD ID | ord-a9e73c1a123e4e2295a38247c56187e9 |
| Source note | uspto-grants-2013_05 |