1-(2-Methylbenzyl)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(2-Methylbenzyl)piperidine-4-carboxylic acid
• CAS No.: 897094-25-6
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10407662
• Mol file: 897094-25-6.mol

Synonyms:1-(2-methylbenzyl)piperidine-4-carboxylic acid;897094-25-6;1-[(2-methylphenyl)methyl]piperidine-4-carboxylic Acid;1-(2-Methyl-benzyl)-piperidine-4-carboxylic acid;DTXSID10407662;MFCD05169717;AKOS000126122;SB44135;NCGC00330622-01;LS-10541;BB 0220122;1-(2-methylbenzyl)piperidine-4-carboxylicacid;AB01324830-02;A861085

Chemical Property of 1-(2-Methylbenzyl)piperidine-4-carboxylic acid

Chemical Property:

• PSA: 40.54000
• Density: 1.141
• LogP: 2.22950
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Methylbenzyl)piperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CN2CCC(CC2)C(=O)O

Technology Process of 1-(2-Methylbenzyl)piperidine-4-carboxylic acid

There total 3 articles about 1-(2-Methylbenzyl)piperidine-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:

methyl 1-(2-methylbenzyl)piperidine-4-carboxylate → C14H19NO2 (897094-25-6)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 65 ℃; for 3h;

DOI:10.1016/j.bmc.2016.07.025

Reference yield:

2-methylbenzyl bromide (89-92-9) → C14H19NO2 (897094-25-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 85 °C / Inert atmosphere

2: sodium hydroxide / ethanol; water / 3 h / 65 °C

With potassium carbonate; sodium hydroxide; In ethanol; water; acetonitrile;

DOI:10.1016/j.bmc.2016.07.025

Reference yield:

isonipecotic acid methyl ester (2971-79-1) → C14H19NO2 (897094-25-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 85 °C / Inert atmosphere

2: sodium hydroxide / ethanol; water / 3 h / 65 °C

With potassium carbonate; sodium hydroxide; In ethanol; water; acetonitrile;

DOI:10.1016/j.bmc.2016.07.025

upstream raw materials:

2-methylbenzyl bromide

isonipecotic acid methyl ester

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