3-(2-Nitro-benzenesulfonylamino)-propionic acid

Base Information

• Chemical Name: 3-(2-Nitro-benzenesulfonylamino)-propionic acid
• CAS No.: 90558-39-7
• Molecular Formula: C9H10 N2 O6 S
• Molecular Weight: 274.254
• DSSTox Substance ID: DTXSID50352288
• Wikidata: Q82129343
• Mol file: 90558-39-7.mol

Synonyms:90558-39-7;3-(2-Nitro-benzenesulfonylamino)-propionic acid;3-(2-nitrophenylsulfonamido)propanoic acid;Oprea1_344656;Oprea1_387681;SCHEMBL4178616;DTXSID50352288;STL363038;AKOS000146918;N-[(2-nitrophenyl)sulfonyl]-beta-alanine;3-(2-nitrophenylsulfonylamino)propanoic acid;N-(2-Nitrobenzene-1-sulfonyl)-beta-alanine;N-[(2-nitrophenyl)sulfonyl]-.beta.-alanine;3-(2-nitrobenzenesulfonylamino)propionic acid;.beta.-alanine, N-[(2-nitrophenyl)sulfonyl]-;Z45532291

Chemical Property of 3-(2-Nitro-benzenesulfonylamino)-propionic acid

Chemical Property:

• Vapor Pressure: 8.53E-12mmHg at 25°C
• Boiling Point: 523.7°Cat760mmHg
• Flash Point: 270.5°C
• PSA: 137.67000
• Density: 1.527g/cm³
• LogP: 2.34270
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 274.02595722
• Heavy Atom Count: 18
• Complexity: 410

Purity/Quality:

3-(2-NITRO-BENZENESULFONYLAMINO)-PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Nitro-benzenesulfonylamino)-propionic acid

There total 3 articles about 3-(2-Nitro-benzenesulfonylamino)-propionic 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: 88.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) + 3-amino propanoic acid (107-95-9) → N-[(o-nitrophenyl)sulfonyl]-β-alanine (90558-39-7)

Guidance literature:

With sodium hydroxide; pH=>= 9; Cooling with ice;

DOI:10.1021/acs.orglett.5b02862

Reference yield:

methyl 3-aminopropanoate hydrochloride (3196-73-4) → N-[(o-nitrophenyl)sulfonyl]-β-alanine (90558-39-7)

Guidance literature:

methyl 3-aminopropanoate hydrochloride; With sodium hydroxide; In methanol; ethanol; water; at 20 ℃;

With hydrogenchloride;

Reference yield:

→ N-[(o-nitrophenyl)sulfonyl]-β-alanine (90558-39-7)

Guidance literature:

aus β-Alanin u. Na2CO3 in W., dann 2-Nitro-benzolsulfochlorid;

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

3-amino propanoic acid

methyl 3-aminopropanoate hydrochloride

Downstream raw materials:

(S)-N¹-((S)-1,5-diamino-1-imino-6,15-dioxo-2,7,12,16-tetraazahenicosan-21-yl)-2-(2-(2,4-dihydroxyphenyl)acetamido)-succinamide tris(2,2,2-trifluoroacetate)

4-Methyl-1-[3-(2-nitrobenzenesulfonylamino)propionyl]-piperazine

[[2-(2-tert-butoxycarbonylamino-ethylcarbamoyl)-ethyl]-(2-nitro-benzenesulfonyl)-amino]-acetic acid ethyl ester

[[2-(2-tert-butoxycarbonylamino-ethylcarbamoyl)-ethyl]-(2-nitro-benzenesulfonyl)-amino]-acetic acid