1-Tosylpiperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-Tosylpiperidine-4-carboxylic acid
• CAS No.: 147636-36-0
• Molecular Formula: C13H17 N O4 S
• Molecular Weight: 283.348
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80353288
• Nikkaji Number: J2.484.792F
• Wikidata: Q82130777
• ChEMBL ID: CHEMBL1888502
• Mol file: 147636-36-0.mol

Synonyms:147636-36-0;1-tosylpiperidine-4-carboxylic acid;1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarboxylic acid;1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid;1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid;1-(4-methylbenzenesulfonyl)piperidine-4-carboxylic acid;MFCD00723645;CBMicro_005939;Cambridge id 6050627;Oprea1_079712;Oprea1_494324;MLS000856566;SCHEMBL6519601;CHEMBL1888502;DTXSID80353288;4-Piperidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-;HMS2687B14;SMSF0012511;BBL001479;STK502151;AKOS000121803;CB08105;SMR000274923;BIM-0005781.P001;CS-0153030;FT-0643411;EN300-00360;4R-1329;A808671;J-505164;Z45524835;F0306-0037;1-(4-Methylbenzene-1-sulfonyl)piperidine-4-carboxylic acid;1-[(4-Methylphenyl)sulfonyl]-4-piperidinecarboxylic acid^;5-[(3-chloro-2-methylphenyl)sulfonyl]-1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Chemical Property of 1-Tosylpiperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.28E-10mmHg at 25°C
• Melting Point: 167-169°C
• Boiling Point: 477.6°Cat760mmHg
• PKA: 4.38±0.20(Predicted)
• Flash Point: 242.6°C
• PSA: 83.06000
• Density: 1.328g/cm³
• LogP: 2.49900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 283.08782920
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

97% ^*data from raw suppliers

1-Tosylpiperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

Technology Process of 1-Tosylpiperidine-4-carboxylic acid

There total 8 articles about 1-Tosylpiperidine-4-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%

4-ethoxycarbonyl-1-(4-methylphenylsulfonyl)piperidine (297180-07-5) → 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid (147636-36-0)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃; for 2h;

DOI:10.1021/jacs.7b12105

Reference yield: 85.0%

1-(4-toluenesulfonyl)-piperidine-4-carbonitrile (93431-41-5) → 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid (147636-36-0)

Guidance literature:

With ethylenediaminetetraacetic acid; In phosphate buffer; dimethyl sulfoxide; at 29 - 31 ℃; for 144h; pH=8.00;

DOI:10.1002/adsc.200700040

Reference yield: 68.0%

isonipecotic acid (498-94-2) + p-toluenesulfonyl chloride (98-59-9) → 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid (147636-36-0)

Guidance literature:

isonipecotic acid; p-toluenesulfonyl chloride; With sodium hydroxide; In diethyl ether; water; at 20 ℃; for 6h;

With hydrogenchloride; In water; pH=3;

DOI:10.1021/ol702832x

upstream raw materials:

p-toluenesulfonyl chloride

isonipecotic acid

1-(4-toluenesulfonyl)-piperidine-4-carbonitrile

4-ethoxycarbonyl-1-(4-methylphenylsulfonyl)piperidine

Downstream raw materials:

1-(1-p-toluenesulfonylpiperidin-4-yl)ethan-1-one

1-(1-p-toluenesulfonylpiperidin-4-yl)ethan-1-ol

1-(toluene-4-sulfonyl)piperidine-4-carboxylic acid methyl ester