2-(2-Nitrobenzenesulfonamido)acetic acid

Base Information

• Chemical Name: 2-(2-Nitrobenzenesulfonamido)acetic acid
• CAS No.: 15054-42-9
• Molecular Formula: C8H8N2O6S
• Molecular Weight: 260.227
• European Community (EC) Number: 822-837-8
• Nikkaji Number: J1.231.274A
• ChEMBL ID: CHEMBL37420
• Mol file: 15054-42-9.mol

Synonyms:2-(2-nitrobenzenesulfonamido)acetic acid;15054-42-9;2-[(2-nitrophenyl)sulfonylamino]acetic acid;CHEMBL37420;N-(2-Nitrophenylsulfonyl)glycine;(2-Nitro-benzenesulfonylamino)-acetic acid;Oprea1_332125;SCHEMBL7827745;N-[(2-nitrophenyl)sulfonyl]glycine;BDBM50016554;STL363037;AKOS000138291;2-(2-nitrobenzenesulfonamido)aceticacid;[({2-nitrophenyl}sulfonyl)amino]acetic acid;CS-0238232;EN300-191706;AE-848/31946053;Z45658542

Chemical Property of 2-(2-Nitrobenzenesulfonamido)acetic acid

Chemical Property:

• Melting Point: 160 °C (aq. ethanol)
• PSA: 137.67000
• LogP: 1.95260
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 260.01030715
• Heavy Atom Count: 17
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

2-(2-Nitrobenzenesulfonamido)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(2-Nitrobenzenesulfonamido)acetic acid

There total 5 articles about 2-(2-Nitrobenzenesulfonamido)acetic 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: 92.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-[(2-nitrobenzene)sulfonamido]acetic acid (15054-42-9)

Guidance literature:

With sodium hydroxide; In water; at 60 - 70 ℃; for 0.5h;

DOI:10.1002/jps.2600760213

Reference yield:

2-nitrobenzenesulfonyl glycine ethyl ester (313497-39-1) → 2-[(2-nitrobenzene)sulfonamido]acetic acid (15054-42-9)

Guidance literature:

With water; potassium hydroxide; In tetrahydrofuran; methanol; at 25 ℃; for 15h; Inert atmosphere;

Reference yield:

glycine ethyl ester hydrochloride (623-33-6) + 2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-[(2-nitrobenzene)sulfonamido]acetic acid (15054-42-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 50 ℃; for 3h;

DOI:10.1016/j.bmc.2017.02.003

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

glycine

glycine ethyl ester hydrochloride

2-nitrobenzenesulfonyl glycine ethyl ester

Downstream raw materials:

1-(2-Nitro-benzenesulfonyl)-2-thioxo-imidazolidin-4-one

N-[[2-(Benzoylamino)phenyl]sulfonyl]glycine

2-Benzyl-1,1-dioxo-1,2,3,5-tetrahydro-1λ⁶-benzo[f][1,2,5]thiadiazepin-4-one

2-(4-Chloro-benzyl)-1,1-dioxo-1,2,3,5-tetrahydro-1λ⁶-benzo[f][1,2,5]thiadiazepin-4-one

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