2-Amino-3-(4-nitrophenyl)sulfanylpropanoic acid

Base Information

• Chemical Name: 2-Amino-3-(4-nitrophenyl)sulfanylpropanoic acid
• CAS No.: 5449-06-9
• Molecular Formula: C₉H₁₀N₂O₄S
• Molecular Weight: 242.255
• DSSTox Substance ID: DTXSID20408741
• NSC Number: 18197
• Mol file: 5449-06-9.mol

Synonyms:5449-06-9;AC1NOSYM;SCHEMBL6053554;DTXSID20408741;NSC18197;NSC-18197;AKOS009157809

Chemical Property of 2-Amino-3-(4-nitrophenyl)sulfanylpropanoic acid

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 242.03612798
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])SCC(C(=O)O)N

Technology Process of 2-Amino-3-(4-nitrophenyl)sulfanylpropanoic acid

There total 2 articles about 2-Amino-3-(4-nitrophenyl)sulfanylpropanoic 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:

N-acetyl-S-(4-nitro-phenyl)-DL-cysteine (91088-55-0) → S-(4-nitro-phenyl)-cysteine (5449-06-9)

Guidance literature:

With sulfuric acid;

Reference yield:

para-nitrobenzenethiol (1849-36-1) → S-(4-nitro-phenyl)-cysteine (5449-06-9)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine; dioxane

2: aqueous H₂SO₄

With piperidine; 1,4-dioxane; sulfuric acid;

Reference yield:

S-(4-nitro-phenyl)-cysteine (5449-06-9) → 2-amino-3-(4-nitro-benzenesulfonyl)-propionic acid (6955-18-6)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide;

DOI:10.1021/jo01103a004

upstream raw materials:

N-acetyl-S-(4-nitro-phenyl)-DL-cysteine

para-nitrobenzenethiol

Downstream raw materials:

2-amino-3-(4-nitro-benzenesulfonyl)-propionic acid