(2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate

Base Information

• Chemical Name: (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
• CAS No.: 130178-54-0
• Molecular Formula: C₁₂H₁₄N₂O₆S
• Molecular Weight: 314.319
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID50926625
• Wikidata: Q82901198
• Mol file: 130178-54-0.mol

Synonyms:(2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate;DTXSID50926625;A806032;1-(2-Nitrobenzene-1-sulfonyl)piperidine-2-carboxylate

Chemical Property of (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate

Chemical Property:

• Vapor Pressure: 6.73E-13mmHg at 25°C
• Boiling Point: 549.3°Cat760mmHg
• Flash Point: 286°C
• PSA: 128.88000
• Density: g/cm³
• LogP: 2.76450
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 313.04943231
• Heavy Atom Count: 21
• Complexity: 503

Purity/Quality:

97% ^*data from raw suppliers

1-[(2-NITROPHENYL)SULFONYL]PIPERIDINE-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C(C1)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
• Isomeric SMILES: C1CCN([C@@H](C1)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Technology Process of (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate

There total 1 articles about (2S)-1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate 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: 80.0%

2-Nitrobenzenesulfonyl chloride (1694-92-4) + pipecolic Acid (4043-87-2,83680-83-5) → N-(2-nitrophenylsulphonyl)piperidine-2-carboxylic acid (130178-54-0)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; ethanol; for 1h; Heating;

DOI:10.1039/P19900001835

Reference yield:

N-(2-nitrophenylsulphonyl)piperidine-2-carboxylic acid (130178-54-0) → N-(2-nitrophenylsulphonyl)piperidine-2-acid chloride (130178-59-5)

Guidance literature:

With thionyl chloride; In benzene; Heating;

DOI:10.1039/P19900001835

Reference yield:

N-(2-nitrophenylsulphonyl)piperidine-2-carboxylic acid (130178-54-0) → 2-amino-N-(2-nitrophenylsulphonyl)piperidine (130178-72-2)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / benzene / Heating

2: CH₂Cl₂ / 1.5 h / Ambient temperature

3: conc. NH₃ / CH₂Cl₂ / 2 h

With ammonium hydroxide; thionyl chloride; In dichloromethane; benzene;

DOI:10.1039/P19900001835

upstream raw materials:

2-Nitrobenzenesulfonyl chloride

pipecolic Acid

Downstream raw materials:

N-(2-nitrophenylsulphonyl)piperidine-2-acid chloride

2-amino-N-(2-nitrophenylsulphonyl)piperidine

Trifluoro-methanesulfonate1-(2-nitro-benzenesulfonyl)-2,3,4,5-tetrahydro-pyridinium;

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