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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 631914Generated: October 31, 2026

Lithium Hydroxide → {4'-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-acetic acid

https://huagongshe.com/reaction/631914

Reaction equation

Participants

RoleNameHCIDCharge
ReactantLithium HydroxideHCID 3939—
Reactant{4'-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-acetic acid ethyl esterHCID 71500376—
SolventTetrahydrofuranHCID 8028—
Product{4'-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-acetic acidHCID 7145396090.2%

Reaction Steps

[5-(4-Bromo-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-carbamic acid (R)-1-phenyl-ethyl ester (from Example 1, 120 mg, 0.30 mmol), ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl)acetate (130 mg, 0.45 mmol), X-PHOS (43 mg, 0.09 mmol), palladium acetate (10 mg, 0.045 mmol) and potassium phosphate (190 mg, 0.90 mmol) were combined in 5 mL of toluene. Deionized water (1 mL) was added and the mixture was degassed with argon for 2 minutes. The mixture was sealed and stirred at 100° C. for 2 hrs. The mixture was extracted with ethyl acetate and water, washed with brine and dried. Solvents were evaporated and the residue was purified by ISCO flash column chromatography (12 g silica gel, 0% to 70% ethyl acetate in hexanes) to give {4′-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-acetic acid ethyl ester as an amorphous powder (70 mg, 48.3% yield). LC/MS calcd for C28H28N4O4 (m/e) 484.0, obsd 485.1 (M+H); 1H-NMR (400 MHz, CDCl3) δ ppm 1.31 (t, J=7.2 Hz, 3H), 1.53-1.76 (m, 3H), 3.69 (s, 2H), 3.95 (s, 3H), 4.21 (q, J=7.2 Hz, 2H), 5.93 (m, 1H), 6.40 (br s, 1H), 7.31-7.49 (m, 7H), 7.56-7.66 (m, 4H), 7.80 (d, J-6.8 Hz, 2H). {4′-[1-Methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-acetic acid ethyl ester (60 mg, 0.124 mmol) was dissolved in 3 mL of THF and lithium hydroxide solution (0.5 N, 1.0 mL) was added. The mixture was stirred at room temperature for 3 hrs. TLC indicated complete consumption of the starting material. The mixture was concentrated and dissolved in water (8 mL). The clear solution was treated with hydrochloric acid (1N, 0.6 mL). The mixture was filtered and the white solid was dried to give {4′-[1-methyl-5-((R)-1-phenyl-ethoxycarbonylamino)-1H-[1,2,3]triazol-4-yl]-biphenyl-4-yl}-acetic acid (51 mg, 90.2% yield). LC/MS calcd for C26H24N4O4 (m/e) 456.0, obsd 457.0 (M+H); 1H-NMR (400 MHz, DMSO-d6) ppm 1.12-1.32 (m, 0.6H), 1.59 (br, 2.4H), 3.64 (s, 2H), 3.89 (s, 3H), 5.80 (br m, 1H), 6.96-7.54 (m, 7H), 7.61-7.74 (m, 4H), 7.80 (d, J=7.6 Hz, 2H), 9.54 and 9.95 (br s, 1H), 12.38 (br s, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09321738B2
Source datasetuspto-grants-2016_04
ORD IDord-0d267ccce88e4c68aa1d937b3df1fba9
Source noteuspto-grants-2016_04