2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-

Base Information

• Chemical Name: 2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-
• CAS No.: 831203-75-9
• Molecular Formula: C16H17N3O4S
• Molecular Weight: 347.395
• DSSTox Substance ID: DTXSID30414979
• Wikidata: Q82224089
• ChEMBL ID: CHEMBL198861

Synonyms:2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-;831203-75-9;5-nitro-N-[(4-thiomorpholin-4-ylphenyl)methyl]furan-2-carboxamide;CHEMBL198861;SCHEMBL6427165;DTXSID30414979;AKOS034581412;Z770985894;5-nitro-N-[(4-thiomorpholinophenyl)methyl]furan-2-carboxamide

Chemical Property of 2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 347.09397721
• Heavy Atom Count: 24
• Complexity: 445

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: C1CSCCN1C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Technology Process of 2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]-

There total 3 articles about 2-Furancarboxamide, 5-nitro-N-[[4-(4-thiomorpholinyl)phenyl]methyl]- 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-thiomorpholin-4-ylphenyl)methylamine (581812-68-2) + 5-nitrofuran-2-carboxylic chloride (25084-14-4) → 5-nitro-furan-2-carboxylic acid 4-thiomorpholin-4-yl-benzylamide (831203-75-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1021/jm050765n

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 5-nitro-furan-2-carboxylic acid 4-thiomorpholin-4-yl-benzylamide (831203-75-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / K₂CO₃ / dimethylsulfoxide / 8 h / 90 °C

2: Red-Al / tetrahydrofuran; toluene / 3 h / 0 °C

3: 1.96 g / Et₃N / tetrahydrofuran / 12 h / 20 °C

With potassium carbonate; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; dimethyl sulfoxide; toluene;

DOI:10.1021/jm050765n

Reference yield:

4-(thiomorpholin-4-yl)benzonitrile (90254-21-0) → 5-nitro-furan-2-carboxylic acid 4-thiomorpholin-4-yl-benzylamide (831203-75-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Red-Al / tetrahydrofuran; toluene / 3 h / 0 °C

2: 1.96 g / Et₃N / tetrahydrofuran / 12 h / 20 °C

With triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; toluene;

DOI:10.1021/jm050765n

upstream raw materials:

(4-thiomorpholin-4-ylphenyl)methylamine

5-nitrofuran-2-carboxylic chloride

4-fluorobenzonitrile

4-(thiomorpholin-4-yl)benzonitrile

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