HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Ethynyl-3-methylcyclohexan-1-ol → HCID 67280272, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-Ethynyl-3-methylcyclohexan-1-ol | HCID 233917 | — |
| Reactant | (2S,3R,5R)-5-(6-Amino-2-iodo-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide | HCID 45039581 | — |
| Product | HCID 67280272 | HCID 67280272 | — |
Reaction Steps
The reaction of 1-Ethynyl-3-methyl-cyclohexanol (JR3149B) (100 mg, 0.72 mmol) with 2-iodo-NECA (25 mg, 0.06 mmol) under the general coupling conditions gave JR3179 (15.0 mg, 59%) as a white solid after purification by a silica plug and RP-HPLC. 1H NMR (CD3OD-d4) δ 8.49 (s, 1 H), 6.06 (d, J=6.9 Hz, 1 H), 4.75 (dd, J=6.4 Hz, J=4.9 Hz, 1 H), 4.46 (d, J=1.9 Hz, 1 H), 4.34 (dd, J=4.9 Hz, J=2.1 Hz, 1 H), 3.42 (m, 2 H), 2.09 (d, J=12.3 Hz, 2 H), 1.73 (m, 4 H), 1.46 (m, 1 H), 1.23 (m, 1 H), 1.16 9 (t, J=7.1 Hz, 3 H), 0.95 (d, J=6.2 Hz, 3 H), 0.89 (m, 1 H). 13C NMR (CD3OD-d4) δ. APCI m/z (rel intensity) 445.3 (MH+, 100), 427.4 (40), 254.4 (4).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07737127B2 |
| Source dataset | uspto-grants-2010_06 |
| ORD ID | ord-4279e1beb2b24122923f4ff8966617a2 |
| Source note | uspto-grants-2010_06 |