HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,8-Octanediol → HCID 66874750, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1,8-Octanediol | HCID 69420 | — |
| Reactant | 2-(Bromomethyl)-1,4-difluorobenzene | HCID 522830 | — |
| Reactant | (R)-benzyl 3-amino-4-(dimethylamino)butanoate dihydrochloride | HCID 46223507 | — |
| Reactant | 8-(2,5-Difluoro-benzyloxy)-octanoic acid | HCID 66875383 | — |
| Reactant | 8-(2,5-Difluoro-benzyloxy)-octan-1-ol | HCID 66875583 | — |
| Product | HCID 66874750 | HCID 66874750 | — |
Reaction Steps
The title compound, m/e=413.3 ([M−H]−), was produced in analogy with intermediate 1, steps 1 to 4. Thus, 1,8-octanediol was alkylated in step 1 with 2,5-difluorobenzyl bromide, leading to 8-(2,5-difluoro-benzyloxy)-octan-1-ol, which was oxidized in step 2 to 8-(2,5-difluoro-benzyloxy)-octanoic acid. This was coupled in step 3 with (R)-3-amino-4-dimethylamino-butyric acid benzyl ester dihydrochloride to produce (R)-3-[8-(2,5-difluoro-benzyloxy)-octanoylamino]-4-dimethylamino-butyric acid benzyl ester, which was hydrogenated in step 4.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08349893B2 |
| Source dataset | uspto-grants-2013_01 |
| ORD ID | ord-0ebfc9433d024ee1897a1d62e2567f21 |
| Source note | uspto-grants-2013_01 |