Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1482122Generated: November 3, 2026

Methyl(2S)-2-(tert-butoxy)-2-[(22S)-17-fluoro-5-(1-hydroxyethyl)-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 → (2S)-2-(tert-Butoxy)-2-[(22S)-17-fluoro-5-(1-hydroxyethyl)-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]acetic acid

https://huagongshe.com/reaction/1482122

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl(2S)-2-(tert-butoxy)-2-[(22S)-17-fluoro-5-(1-hydroxyethyl)-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]acetateHCID 118316356—
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 acidHCID 118332041—
Product(2S)-2-(tert-Butoxy)-2-[(22S)-17-fluoro-5-(1-hydroxyethyl)-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]acetic acidHCID 11831635866.4%

Reaction Steps

Prepared in 66.4% yield from methyl(2S)-2-(tert-butoxy)-2-[(22S)-17-fluoro-5-(1-hydroxyethyl)-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 (400 MHz, DMSO-d6) δ 8.18 (s, 1H), 8.06 (d, J=7.8 Hz, 1H), 7.95 (s, 1H), 7.54 (t, J=7.7 Hz, 1H), 7.36 (d, J=7.8 Hz, 1H), 7.23 (dd, J=9.4, 2.6 Hz, 1H), 7.19-7.14 (m, 2H), 6.44 (d, J=9.8 Hz, 1H), 5.57 (s, 1H), 5.29-5.15 (m, 1H), 4.70-4.58 (m, 1H), 3.84 (br. s., 2H), 3.56-3.42 (m, 3H), 2.68-2.58 (m, 1H), 2.33 (s, 3H), 1.99-1.53 (m, 10H), 1.50 (d, J=6.5 Hz, 3H), 1.20 (s, 3H), 1.12 (s, 9H), 1.09 (d, J=6.0 Hz, 3H); LCMS (ESI, M+1): 688.3.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09409922B2
Source datasetuspto-grants-2016_08
ORD IDord-0e3ed31374ce418c954e8169f64c49fc
Source noteuspto-grants-2016_08