methyl(2S)-2-(tert-butoxy)-2-[(22S)-5-(difluoromethyl)-17-fluoro-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 118316382, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | methyl(2S)-2-(tert-butoxy)-2-[(22S)-5-(difluoromethyl)-17-fluoro-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 118316380 | — |
| 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 118316382 | HCID 118316382 | 19.1% |
Reaction Steps
Prepared in 19.1% yield from methyl(2S)-2-(tert-butoxy)-2-[(22S)-5-(difluoromethyl)-17-fluoro-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 8.19 (s, 1H), 8.15 (d, J=7.7 Hz, 1H), 8.06 (s, 1H), 7.97-7.65 (m, 1H), 7.57-7.51 (m, 1H), 7.38 (d, J=7.7 Hz, 1H), 7.22 (d, J=7.3 Hz, 1H), 7.17 (d, J=4.8 Hz, 2H), 5.83 (br. s., 1H), 4.62 (br. s., 1H), 3.83 (br. s., 1H), 3.57 (d, J=11.7 Hz, 1H), 3.44 (d, J=9.2 Hz, 4H), 2.68 (d, J=10.6 Hz, 1H), 2.53 (br. s., 3H), 1.94-1.58 (m, 9H), 1.53 (br. s., 1H), 1.19 (s, 3H), 1.15 (s, 9H), 1.07 (d, J=5.9 Hz, 3H); LCMS (ESI, M+1): 678.3.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09409922B2 |
| Source dataset | uspto-grants-2016_08 |
| ORD ID | ord-4bacf22c456d406494ffd0e0ac83fc4b |
| Source note | uspto-grants-2016_08 |