(E)-4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide

Base Information

• Chemical Name: (E)-4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide
• CAS No.: 93101-02-1
• Molecular Formula: C19H20ClN3O4S
• Molecular Weight: 421.8978
• Hs Code.: 2935009090
• UNII: 04WOYJF7QH
• Wikipedia: W-18
• Mol file: 93101-02-1.mol

Synonyms:93101-02-1;W-18;04WOYJF7QH;(E)-4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide;UNII-04WOYJF7QH;W 18;(NE)-4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzenesulfonamide;BenzenesulfonaMide, 4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylid ene]-;4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide;SCHEMBL17158175;SCHEMBL17158177;AKOS017345233;AKOS040754391;A859874;(Z)-4-chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide;4-CHLORO-N-(1-(2-(4-NITROPHENYL)ETHYL)-PIPERIDIN-2-YLIDENE)BENZENESULFONAMIDE;BENZENESULFONAMIDE, 4-CHLORO-N-(1-(2-(4-NITROPHENYL)ETHYL)-2-PIPERIDINYLIDENE)-

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Chemical Property of (E)-4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide

Chemical Property:

• Boiling Point: 601.4±65.0 °C(Predicted)
• PKA: -0.80±0.20(Predicted)
• PSA: 103.94000
• Density: 1.39
• LogP: 5.60590
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 421.0863050
• Heavy Atom Count: 28
• Complexity: 658

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C1)CCC3=CC=C(C=C3)[N+](=O)[O-]
• Isomeric SMILES: C1CCN(/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/C1)CCC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of (E)-4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide

There total 3 articles about (E)-4-Chloro-N-(1-(4-nitrophenethyl)piperidin-2-ylidene)benzenesulfonamide 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: 61.0%

1-(2-phenylethyl)piperidylidene-2-(4-chlorophenyl)sulfonamide (93100-99-3) → 1-<2-(4-nitrophenyl)ethyl>piperidylidene-2-(4-chlorophenyl)sulfonamide (93101-02-1)

Guidance literature:

With nitric acid; at 25 ℃; for 4h;

Reference yield:

p-chlorobenzenesulfonyl azide (4547-68-6) → 1-<2-(4-nitrophenyl)ethyl>piperidylidene-2-(4-chlorophenyl)sulfonamide (93101-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 25 percent / diethyl ether / 1 h / 25 °C

2: 61 percent / 90percent HNO₃ / 4 h / 25 °C

With nitric acid; In diethyl ether;

Reference yield:

1-(2-phenylethyl)-1,2,3,4-tetrahydropyridine (93101-19-0) → 1-<2-(4-nitrophenyl)ethyl>piperidylidene-2-(4-chlorophenyl)sulfonamide (93101-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 25 percent / diethyl ether / 1 h / 25 °C

2: 61 percent / 90percent HNO₃ / 4 h / 25 °C

With nitric acid; In diethyl ether;

upstream raw materials:

1-(2-phenylethyl)piperidylidene-2-(4-chlorophenyl)sulfonamide

p-chlorobenzenesulfonyl azide

1-(2-phenylethyl)-1,2,3,4-tetrahydropyridine

Downstream raw materials:

1-<2-(4-aminophenyl)ethyl>piperidylidene-2-(4-chlorophenyl)sulfonamide