1-[(4-Nitrophenyl)sulfonyl]pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-[(4-Nitrophenyl)sulfonyl]pyrrolidine-2-carboxylic acid
• CAS No.: 88867-96-3
• Molecular Formula: C11H11N2O6S-
• Molecular Weight: 300.292
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10383058
• Mol file: 88867-96-3.mol

Synonyms:88867-96-3;1-[(4-nitrophenyl)sulfonyl]pyrrolidine-2-carboxylic acid;1-[(4-nitrophenyl)sulfonyl]proline;1375313-81-7;1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid;((4-nitrophenyl)sulfonyl)proline;1-((4-nitrophenyl)sulfonyl)pyrrolidine-2-carboxylic acid;1-(4-NITROBENZENESULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID;1-[(4-Nitrophenyl)sulfonyl]-L-proline;Cambridge id 5237338;Oprea1_479470;Oprea1_742499;CBDivE_008473;DTXSID10383058;1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE-2-CARBOXYLICACID;MFCD00573234;STK950817;AKOS000267398;AKOS016039034;LS-08222;CS-0220647;EU-0035440;EN300-07181;AB00076256-01;SR-01000405557;SR-01000405557-1;1-[(4-nitrophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid;F0347-0243

Chemical Property of 1-[(4-Nitrophenyl)sulfonyl]pyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.26E-12mmHg at 25°C
• Boiling Point: 543°Cat760mmHg
• Flash Point: 282.2°C
• PSA: 128.88000
• Density: g/cm³
• LogP: 2.37440
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 300.04160728
• Heavy Atom Count: 20
• Complexity: 486

Purity/Quality:

99% ^*data from raw suppliers

1-[(4-Nitrophenyl)sulfonyl]proline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Technology Process of 1-[(4-Nitrophenyl)sulfonyl]pyrrolidine-2-carboxylic acid

There total 7 articles about 1-[(4-Nitrophenyl)sulfonyl]pyrrolidine-2-carboxylic acid 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: 100.0%

(S)-methyl 1-((4-nitrophenyl)sulfonyl)pyrrolidine-2-carboxylate (497820-70-9) → 1-(4-nitrophenylsulphonyl)pyrrolidine-2-carboxylic acid (88867-96-3)

Guidance literature:

With lithium hydroxide; In methanol; water; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c01851

Reference yield: 96.39%

4-Nitrobenzenesulfonyl chloride (98-74-8) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → 1-(4-nitrophenylsulphonyl)pyrrolidine-2-carboxylic acid (88867-96-3)

Guidance literature:

With sodium carbonate; In water; for 5h;

DOI:10.1016/j.ejmech.2017.04.029

Reference yield:

(S)-tert-butyl 1-(4-nitrophenylsulfonyl)pyrrolidine-2-carboxylate (916734-46-8) → 1-(4-nitrophenylsulphonyl)pyrrolidine-2-carboxylic acid (88867-96-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 1h;

upstream raw materials:

L-proline

4-Nitrobenzenesulfonyl chloride

L-proline

(S)-tert-butyl 1-(4-nitrophenylsulfonyl)pyrrolidine-2-carboxylate

Downstream raw materials:

C₂₃H₂₇N₅O₈S

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