Benzoic acid, 4-[[[3-(2,5-dihydro-5-oxo-4-isoxazolyl)-2-[[(1,1-dimethylethoxy)carbonyl] amino]-1-oxopropyl]amino]methyl]-, methyl ester, (S)-

Base Information

• Chemical Name: Benzoic acid, 4-[[[3-(2,5-dihydro-5-oxo-4-isoxazolyl)-2-[[(1,1-dimethylethoxy)carbonyl] amino]-1-oxopropyl]amino]methyl]-, methyl ester, (S)-
• CAS No.: 130620-73-4
• Molecular Formula: C20H25N3O7
• Molecular Weight: 419.434
• Mol file: 130620-73-4.mol

Synonyms:

Chemical Property of Benzoic acid, 4-[[[3-(2,5-dihydro-5-oxo-4-isoxazolyl)-2-[[(1,1-dimethylethoxy)carbonyl] amino]-1-oxopropyl]amino]methyl]-, methyl ester, (S)-

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 4-[[[3-(2,5-dihydro-5-oxo-4-isoxazolyl)-2-[[(1,1-dimethylethoxy)carbonyl] amino]-1-oxopropyl]amino]methyl]-, methyl ester, (S)-

There total 1 articles about Benzoic acid, 4-[[[3-(2,5-dihydro-5-oxo-4-isoxazolyl)-2-[[(1,1-dimethylethoxy)carbonyl] amino]-1-oxopropyl]amino]methyl]-, methyl ester, (S)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 49.0%

methyl 4-(aminomethyl)benzoate (18469-52-8) + N-tert-butoxycarbonyl-TAN-950 A (127608-01-9) → 4-{[(S)-2-tert-Butoxycarbonylamino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid methyl ester (130620-73-4)

Guidance literature:

With diethylphosphoryl cyanide; triethylamine; In N,N-dimethyl-formamide; for 1h;

DOI:10.1248/cpb.39.1199

Reference yield: 92.0%

4-{[(S)-2-tert-Butoxycarbonylamino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid methyl ester (130620-73-4) → 4-{[(S)-2-tert-Butoxycarbonylamino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid (130620-74-5)

Guidance literature:

With sodium hydroxide; In methanol; for 0.5h;

DOI:10.1248/cpb.39.1199

Reference yield:

4-{[(S)-2-tert-Butoxycarbonylamino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid methyl ester (130620-73-4) → 4-{[(S)-2-Amino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid; hydrochloride (130621-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / 0.5 N NaOH / methanol / 0.5 h

2: 89 percent / 4 N HCl / dioxane / 1 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; In 1,4-dioxane; methanol;

DOI:10.1248/cpb.39.1199

upstream raw materials:

methyl 4-(aminomethyl)benzoate

N-tert-butoxycarbonyl-TAN-950 A

Downstream raw materials:

4-{[(S)-2-tert-Butoxycarbonylamino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid

4-{[(S)-2-Amino-3-(5-oxo-2,5-dihydro-isoxazol-4-yl)-propionylamino]-methyl}-benzoic acid; hydrochloride