N²-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid

Base Information

• Chemical Name: N²-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid
• CAS No.: 96846-01-4
• Molecular Formula: C₁₂H₁₇N₃O₅S
• Molecular Weight: 315.35
• Mol file: 96846-01-4.mol

Synonyms:N²-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid

Chemical Property of N²-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N²-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid

There total 1 articles about N²-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid 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: 78.0%

2-(S)-p-toluenesulfonylamino-β-alanine (21753-19-5) + methyl isocyanate (624-83-9) → N2-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid (96846-01-4)

Guidance literature:

With sodium hydroxide; at 5 ℃; for 1.5h;

DOI:10.1021/jm00146a008

Reference yield:

N2-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid (96846-01-4) → N2-<4-(methylamino)benzoyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid (96846-08-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 30percent HBr, CH₃COOH, phenol / 96 h

2: (i-Pr)2NEt / dioxane; H₂O

3: H₂ / 30percent Pd/C / acetic acid / 3.5 h / 25 °C / 2324.2 Torr

With hydrogen bromide; hydrogen; acetic acid; N-ethyl-N,N-diisopropylamine; phenol; palladium on activated charcoal; In 1,4-dioxane; water; acetic acid;

DOI:10.1021/jm00146a008

Reference yield:

N2-<(4-methylphenyl)sulfonyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid (96846-01-4) → N-2-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-3-<<(methylamino)carbonyl>amino>propanoic acid (96846-11-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 30percent HBr, CH₃COOH, phenol / 96 h

2: (i-Pr)2NEt / dioxane; H₂O

3: H₂ / 30percent Pd/C / acetic acid / 3.5 h / 25 °C / 2324.2 Torr

4: 50 percent / N,N-dimethyl-acetamide / 120 h / 20 - 25 °C

With hydrogen bromide; hydrogen; acetic acid; N-ethyl-N,N-diisopropylamine; phenol; palladium on activated charcoal; In 1,4-dioxane; N,N-dimethyl acetamide; water; acetic acid;

DOI:10.1021/jm00146a008

upstream raw materials:

2-(S)-p-toluenesulfonylamino-β-alanine

methyl isocyanate

Downstream raw materials:

N²-<4-(methylamino)benzoyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid

N²-<4-<<(benzyloxy)carbonyl>methylamino>benzoyl>-2-amino-3-<<(methylamino)carbonyl>amino>propanoic acid

N-²-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-3-<<(methylamino)carbonyl>amino>propanoic acid