Benzenemethanamine, N-[[(4-nitrophenyl)sulfonyl]oxy]-

Base Information

• Chemical Name: Benzenemethanamine, N-[[(4-nitrophenyl)sulfonyl]oxy]-
• CAS No.: 80953-40-8
• Molecular Formula: C13H12N2O5S
• Molecular Weight: 308.315
• DSSTox Substance ID: DTXSID70486251
• Wikidata: Q82326524
• Mol file: 80953-40-8.mol

Synonyms:Benzenemethanamine, N-[[(4-nitrophenyl)sulfonyl]oxy]-;80953-40-8;DTXSID70486251

Chemical Property of Benzenemethanamine, N-[[(4-nitrophenyl)sulfonyl]oxy]-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 308.04669266
• Heavy Atom Count: 21
• Complexity: 429

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Benzenemethanamine, N-[[(4-nitrophenyl)sulfonyl]oxy]-

There total 2 articles about Benzenemethanamine, N-[[(4-nitrophenyl)sulfonyl]oxy]- 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:

4-nitrobenzenesulfonyl peroxide (6209-72-9) + benzylamine (100-46-9) → C13H11N2O5S*H(1+) (80953-40-8)

Guidance literature:

DOI:10.1021/ja00220a048

Reference yield:

→ O-p-Nitrophenylsulfonyl-benzylhydroxylamin (80953-40-8)

Guidance literature:

Benzylamin, p-Nitrophenylsulfonylperoxid;

DOI:10.1021/ja00513a038

Reference yield:

morpholine (110-91-8,99108-56-2) + C13H11N2O5S*H(1+) (80953-40-8) → p-nitrobenzenesulfonic acid (138-42-1) + C7H6N*H(1+) (16118-22-2,36112-27-3,36112-28-4)

Guidance literature:

In tetrahydrofuran; ethyl acetate; at -10 ℃; Kinetics;

DOI:10.1021/ja00220a048

upstream raw materials:

4-nitrobenzenesulfonyl peroxide

benzylamine

Downstream raw materials:

benzylidenamine

4-Nitro-benzenesulfonic acid; compound with dibutyl-amine

4-Nitro-benzenesulfonic acid; compound with triethyl-amine