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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 75786Generated: October 29, 2026

Methyl valinate hydrochloride → (S)-2-[(3-{4-[3-(4-Fluoro-phenyl)-ureido]-phenyl}-isoxazole-5-carbonyl)-amino]-3-methyl-butyric acid methyl ester

https://huagongshe.com/reaction/75786

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl valinate hydrochlorideHCID 111190—
ReactantPotassium BromideHCID 253877—
Reactant3-{4-[3-(4-Fluoro-phenyl)-ureido]-phenyl}-isoxazole-5-carboxylic acidHCID 67353117—
Product(S)-2-[(3-{4-[3-(4-Fluoro-phenyl)-ureido]-phenyl}-isoxazole-5-carbonyl)-amino]-3-methyl-butyric acid methyl esterHCID 4618143384.2%

Reaction Steps

The title compound was prepared from 3-{4-[3-(4-fluoro-phenyl)-ureido]-phenyl}-isoxazole-5-carboxylic acid and (S)-2-amino-3-methyl-butyric acid methyl ester hydrochloride using the procedure as set forth in Example 5 and was obtained in 84.2% yield. Mass (ES+): 455 (M++1); IR (KBr): 3310, 1742, 1672, 1553 (br), 1506, 1434; 1H NMR (DMSO-d6) δ: 0.92 (2×d, 6H), 2.18 (m, 1H), 3.65 (s, 3H), 4.29 (t, 1H), 7.11 (t, 2H), 7.59 (d, 2H), 7.66 (s, 1H), 7.82 (d, 2H), 8.77 (s, 1H), 8.94 (s, 1H), 9.16 (d, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08835428B2
Source datasetuspto-grants-2014_09
ORD IDord-8384e29ac5db4ed990643a851ed29c73
Source noteuspto-grants-2014_09