4-Methylpiperidine-2-carboxylic acid

Base Information

• Chemical Name: 4-Methylpiperidine-2-carboxylic acid
• CAS No.: 172823-76-6
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.18400
• DSSTox Substance ID: DTXSID20403635
• Nikkaji Number: J2.470.894B
• Mol file: 172823-76-6.mol

Synonyms:4-methylpiperidine-2-carboxylic acid;172823-76-6;2-Piperidinecarboxylic acid, 4-methyl-;4-Methyl-pipecolinic acid;(2R,4S)-4-Methyl-pipecolinicacid;4-Methyl-2-piperidinecarboxylic acid;(+/-)-trans-4-Methyl-pipecolinic acid;2-Piperidinecarboxylicacid,4-methyl-(9CI);(2S,4R)-4-Methyl-pipecolinic acid;1821715-08-5;(2R,4R)-4-Methyl-pipecolinic acid;4-methylpipecolic acid;starbld0018424;2-Piperidinecarboxylic acid, 4-methyl-, (2R,4S)-;SCHEMBL58192;DTXSID20403635;UQHCHLWYGMSPJC-UHFFFAOYSA-N;4-Methylpiperidine-2-carboxylicacid;AKOS013444365;AB16257;SB32409;SB34243;SB34500;SB38564;SB38789;FT-0654404;EN300-147483

Chemical Property of 4-Methylpiperidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 267.0±33.0 °C(Predicted)
• PKA: 2.48±0.40(Predicted)
• PSA: 49.33000
• Density: 1.062±0.06 g/cm3(Predicted)
• LogP: 0.78790
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-pipecolinicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCNC(C1)C(=O)O
• Uses: 4-Methyl-2-piperidinecarboxylic Acid is used in capillary electrophoretic mobility shift displacement assay for weak drug-protein interactions assessment. It is also has been used as an reactant to synthesize anti viral agents

Technology Process of 4-Methylpiperidine-2-carboxylic acid

There total 1 articles about 4-Methylpiperidine-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:

4-methylpicolinic acid (4021-08-3) → (2R,4R)-4-Methyl-piperidine-2-carboxylic acid (172823-76-6)

Guidance literature:

With ammonium hydroxide; hydrogen; palladium on activated charcoal;

DOI:10.1016/S0960-894X(99)00160-2

Reference yield:

(2R,4R)-4-Methyl-piperidine-2-carboxylic acid (172823-76-6) → 3-(4-benzyloxy-phenyl)-2-{[4-methyl-1-(3-methyl-butyl)-piperidine-2-carbonyl]-amino}-propionic acid tert-butyl ester

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 20 percent Pd/C / ethanol

2: O-benzotriazol-1-yl-N,N,N',N'-tetramethyluronium hexafluorophosphate, (i-Pr)2NEt / dimethylformamide

With hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(99)00160-2

upstream raw materials:

4-methylpicolinic acid

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