4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride

Base Information

• Chemical Name: 4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride
• CAS No.: 21316-10-9
• Molecular Formula: C23H19FN2O5S
• Molecular Weight: 454.4708
• NSC Number: 211668
• DSSTox Substance ID: DTXSID60421510
• Wikidata: Q82233031

Synonyms:21316-10-9;DTXSID60421510;NSC211668;NSC-211668;4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride

Chemical Property of 4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride

Chemical Property:

• Vapor Pressure: 2.08E-16mmHg at 25°C
• Boiling Point: 642.6°Cat760mmHg
• Flash Point: 342.5°C
• Density: 1.387g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 454.09987105
• Heavy Atom Count: 32
• Complexity: 767

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)F
• Isomeric SMILES: C1=CC=C(C=C1)CC/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NC3=CC=C(C=C3)S(=O)(=O)F

Technology Process of 4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride

There total 3 articles about 4-({(2E)-2-[(4-Nitrophenyl)methylidene]-4-phenylbutanoyl}amino)benzene-1-sulfonyl fluoride 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-nitrobenzaldehdye (555-16-8) → p-Nitro-α-phenaethyl-zimtsaeure-p-fluorsulfonyl-anilid (21316-10-9)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) SOCl₂, benzene, (ii) /BRN= 2209488/, toluene

DOI:10.1021/jm00310a008

Reference yield:

1-phenyl-2-bromoethane (103-63-9) → p-Nitro-α-phenaethyl-zimtsaeure-p-fluorsulfonyl-anilid (21316-10-9)

Guidance literature:

Multi-step reaction with 2 steps

2: (i) SOCl₂, benzene, (ii) /BRN= 2209488/, toluene

DOI:10.1021/jm00310a008

Reference yield:

4-aminobenzenesulfonyl fluoride (98-62-4) + p-Nitro-α-phenethyl-zimtsaeure (21320-79-6) → p-Nitro-α-phenaethyl-zimtsaeure-p-fluorsulfonyl-anilid (21316-10-9)

Guidance literature:

Multistep reaction; (i) SOCl₂, benzene, (ii) /BRN= 2209488/, toluene;

DOI:10.1021/jm00310a008

upstream raw materials:

4-aminobenzenesulfonyl fluoride

p-Nitro-α-phenethyl-zimtsaeure

4-nitrobenzaldehdye

1-phenyl-2-bromoethane

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