Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 716403Generated: October 29, 2026

Iodine → (S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(2-(4-(heptyloxy)phenyl)thiazol-4-yl)phenyl)propanoate

https://huagongshe.com/reaction/716403

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIodineHCID 807—
ReactantDichloromethaneHCID 6344—
Reactantmethyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoateHCID 10903591—
ReactantHCID 86689666HCID 86689666—
CatalystZincHCID 23994—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
Catalyst2-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 11269872—
SolventDimethylformamideHCID 6228—
Product(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(2-(4-(heptyloxy)phenyl)thiazol-4-yl)phenyl)propanoateHCID 8668966784%

Reaction Conditions

Temperature50 °C

Reaction Steps

To a stirring mixture of zinc (182 mg, 2.79 mmol) in DMF (2 mL) was added diiodine (35.4 mg, 0.14 mmol). When the color was discharged, further diiodine (35.4 mg, 0.14 mmol) and (R)-methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate (306 mg, 0.93 mmol) were added. After 30 min, DMF (1 mL) was added and the mixture de-gassed by bubbling through N2. To the reaction mixture were added 4-(4-bromophenyl)-2-(4-(heptyloxy)phenyl)thiazole (400 mg, 0.93 mmol), Pd2dba3 (21 mg, 0.02 mmol) and dicyclohexyl(2′,6′-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine (19 mg, 0.05 mmol), the mixture was further de-gassed then heated to 50° C. for 3 h. The reaction mixture was cooled and purified by column chromatography (10-80% EA in iso-hexanes). The product obtained was taken into DCM (4 mL) and washed with water (20 mL) and dried through a hydrophobic frit. The organics were suspended in ACN (4 mL) and concentrated to afford 432 mg (83%) of (S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(2-(4-(heptyloxy)phenyl)thiazol-4-yl)phenyl)propanoate as a yellow foam. LCMS-ESI (m/z) calculated for C31H40N2O5S: 552.7; no ion observed, tR=3.36 min. (Method 4).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09187522B2
Source datasetuspto-grants-2015_11
ORD IDord-d1b17b6a2c55445e98c70695e5f8280f
Source noteuspto-grants-2015_11