4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide

Base Information

• Chemical Name: 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide
• CAS No.: 743452-14-4
• Molecular Formula: C₁₂H₁₆ClN₃O₅S
• Molecular Weight: 349.795
• DSSTox Substance ID: DTXSID90395078
• ChEMBL ID: CHEMBL1455370
• Mol file: 743452-14-4.mol

Synonyms:743452-14-4;4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide;4-Chloro-N-(2-morpholinoethyl)-3-nitrobenzenesulfonamide;4-chloro-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzene-1-sulfonamide;((4-chloro-3-nitrophenyl)sulfonyl)(2-morpholin-4-ylethyl)amine;Benzenesulfonamide, 4-chloro-N-[2-(4-morpholinyl)ethyl]-3-nitro-;MLS001174547;CHEMBL1455370;SCHEMBL21247083;DTXSID90395078;HMS2909F19;MFCD01269351;AKOS000122940;MS-10603;SMR000591312;CS-0221407;EN300-09071;J-515163;Z45537260

Chemical Property of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide

Chemical Property:

• PSA: 112.84000
• LogP: 2.79150
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 349.0499195
• Heavy Atom Count: 22
• Complexity: 472

Purity/Quality:

97% ^*data from raw suppliers

4-CHLORO-N-(2-MORPHOLIN-4-YLETHYL)-3-NITROBENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide

There total 1 articles about 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide 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-chloro-N-(2-morpholinoethyl)-3-nitrobenzenesulfonamide (743452-14-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

Reference yield:

4-chloro-N-(2-morpholinoethyl)-3-nitrobenzenesulfonamide (743452-14-4) → 3-amino-4-(cyclohexylamino)-N-(2-morpholinoethyl)benzenesulfonamide

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide / 18 h / 60 °C

2: 10 wt% Pd(OH)2 on carbon; hydrogen / methanol / 18 h / 20 °C

With 10 wt% Pd(OH)2 on carbon; hydrogen; potassium carbonate; In methanol; dimethyl sulfoxide;

DOI:10.1021/acs.jmedchem.8b01299

Reference yield:

4-chloro-N-(2-morpholinoethyl)-3-nitrobenzenesulfonamide (743452-14-4) → 3-(benzylamino)-4-(cyclohexylamino)-N-(2-morpholinoethyl)benzenesulfonamide

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / dimethyl sulfoxide / 18 h / 60 °C

2: 10 wt% Pd(OH)2 on carbon; hydrogen / methanol / 18 h / 20 °C

3: potassium carbonate / N,N-dimethyl-formamide / 0.33 h / 40 °C

With 10 wt% Pd(OH)2 on carbon; hydrogen; potassium carbonate; In methanol; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.8b01299

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