HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 879321Generated: October 28, 2026
(S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)benzo[d]thiazol-6-yl)acetic acid → (2S)-2-tert-butoxy-2-(5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)-7-(2-methylbenzo[d][1,3]dioxol-5-yl)benzo[d]thiazol-6-yl)acetic acid
https://huagongshe.com/reaction/879321
Participants
| Role | Name | HCID | Charge |
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| Reactant | (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)benzo[d]thiazol-6-yl)acetic acid | HCID 72195435 | — |
| Reactant | (2S)-2-tert-butoxy-2-(5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)-7-(2-methylbenzo[d][1,3]dioxol-5-yl)benzo[d]thiazol-6-yl)ethyl pivalate | HCID 86699837 | — |
| Product | (2S)-2-tert-butoxy-2-(5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)-7-(2-methylbenzo[d][1,3]dioxol-5-yl)benzo[d]thiazol-6-yl)acetic acid | HCID 72195436 | — |
Reaction Steps
prepared in a similar manner as (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)benzo[d]thiazol-6-yl)acetic acid in Method G, except using (2S)-2-tert-butoxy-2-(5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)-7-(2-methylbenzo[d][1,3]dioxol-5-yl)benzo[d]thiazol-6-yl)ethyl pivalate instead of (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)benzo[d]thiazol-6-yl)ethyl pivalate. LCMS-ESI+ (m/z): [M+H]+ calcd for C36H34N3O5S: 620.2; Found: 620.3; 1H-NMR: 400 MHz, (CD3OD) δ 8.34-8.32 (m, 1H), 8.08 (s, 2H), 8.00-7.94 (m, 1H), 7.85-7.84 (m, 3H), 7.66 (d, J=8.8 Hz, 1H), 7.59 (t, J=7.2 Hz, 1H), 7.17-7.11 (m, 1H), 7.06-7.00 (m, 1H), 6.97-6.94 (m, 1H), 6.43-6.37 (m, 1H), 5.46-5.36 (m, 1H), 4.10 (s, 3H), 2.60 (s, 3H), 1.74-1.68 (m, 3H), 0.99 (s, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08987250B2 |
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| Source dataset | uspto-grants-2015_03 |
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| ORD ID | ord-4567dd8a0d9049369d251194a13ee23c |
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| Source note | uspto-grants-2015_03 |
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