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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1779183Generated: October 31, 2026

methyl (S)-2-amino-3-(4-but-2-ynyloxy-phenyl)-propionate → tert-Butyl (E)-(2S,3S)-3-[(S)-2-(2'-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-heptylsulfanyl-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoate

https://huagongshe.com/reaction/1779183

Reaction equation

Participants

RoleNameHCIDCharge
Reactantmethyl (S)-2-amino-3-(4-but-2-ynyloxy-phenyl)-propionateHCID 58239373—
Reactant(E)-(2S,3S)-3-[(S)-2-(2'-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-(heptane-1-sulfonyl)-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoic acidHCID 90060283—
Reactantmethyl (S)-2-amino-3-(2'-fluoro-biphenyl-4-yl)-propionateHCID 131734856—
Reactanttert-butyl (E)-(2S,3S)-3-[(S)-2-(2'-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-(heptane-1-sulfonyl)-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoateHCID 131734857—
Producttert-Butyl (E)-(2S,3S)-3-[(S)-2-(2'-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-heptylsulfanyl-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoateHCID 131734855—

Reaction Steps

tert-Butyl (E)-(2S,3S)-3-[(S)-2-(2′-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-heptylsulfanyl-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoate (ESI (LC/MS positive mode) m/z 744 (M+H); Rt 3.77 min.) was synthesized by using methyl (S)-2-amino-3-(2′-fluoro-biphenyl-4-yl)-propionate and conditions at 50° C., for 1.5 days instead of methyl (S)-2-amino-3-(4-but-2-ynyloxy-phenyl)-propionate and the conditions in Step C-6. Then, tert-butyl (E)-(2S,3S)-3-[(S)-2-(2′-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-(heptane-1-sulfonyl)-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoate was first synthesized (ESI (LC/MS positive mode) m/z 776 (M+H); Rt 2.23 min.) under conditions similar to those in Step C-7. Subsequently, (E)-(2S,3S)-3-[(S)-2-(2′-fluoro-biphenyl-4-yl)-1-methoxycarbonyl-ethylcarbamoyl]-11-(heptane-1-sulfonyl)-2-hydroxy-2-(2-methoxy-ethyl)-undec-4-enoic acid (No. 5540578) was synthesized by the reaction under conditions similar to those in Step C-8.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09266853B2
Source datasetuspto-grants-2016_02
ORD IDord-a1947124accc4ebeb15d911299bb6041
Source noteuspto-grants-2016_02