Methyl(2S)-2-(tert-butoxy)-2-[(22S)-8-chloro-17-fluoro-5-(hydroxymethyl)-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18-decaen-3-yl]acetate → HCID 118316381, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methyl(2S)-2-(tert-butoxy)-2-[(22S)-8-chloro-17-fluoro-5-(hydroxymethyl)-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18-decaen-3-yl]acetate | HCID 118316378 | — |
| Reactant | (2S)-2-(tert-Butoxy)-2-[(22S)-8-chloro-4,17,22,28-tetramethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18-decaen-3-yl]acetic acid | HCID 118332041 | — |
| Product | HCID 118316381 | HCID 118316381 | 17.4% |
Reaction Steps
Prepared in 17.4% yield from methyl(2S)-2-(tert-butoxy)-2-[(22S)-8-chloro-17-fluoro-5-(hydroxymethyl)-4,22,28-trimethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18-decaen-3-yl]acetate following the procedure for (2S)-2-(tert-butoxy)-2-[(22S)-8-chloro-4,17,22,28-tetramethyl-21,27-dioxa-1,7,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18-decaen-3-yl]acetic acid. 1H NMR (500 MHz, DMSO-d6) δ 8.33 (s, 1H), 7.90 (d, J=7.7 Hz, 1H), 7.60 (t, J=7.5 Hz, 1H), 7.47 (d, J=7.7 Hz, 1H), 7.25 (s, 2H), 7.20-7.13 (m, 3H), 7.05 (s, 1H), 5.96 (br. s., 1H), 5.01-4.95 (m, 1H), 4.93-4.88 (m, 1H), 4.61 (br. s., 1H), 4.05-3.90 (m, 2H), 3.52 (br. s., 1H), 3.38 (br. s., 2H), 2.46 (br. s., 3H), 2.35 (br. s., 1H), 2.02-1.59 (m, 8H), 1.21 (br. s., 3H), 1.19 (s, 9H), 1.04 (d, J=5.9 Hz, 3H); LCMS (ESI, M+1): 708.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09409922B2 |
| Source dataset | uspto-grants-2016_08 |
| ORD ID | ord-794ac51b05bd4e6bb06d966cc027e212 |
| Source note | uspto-grants-2016_08 |