1-methylpiperidine-3-carboxylic Acid

Base Information

• Chemical Name: 1-methylpiperidine-3-carboxylic Acid
• CAS No.: 5657-70-5
• Molecular Formula: C7H13NO2
• Molecular Weight: 143.186
• Hs Code.: 2933399090
• European Community (EC) Number: 689-344-6
• DSSTox Substance ID: DTXSID90371716,DTXSID00902717
• Nikkaji Number: J1.458.853A
• Wikidata: Q72495783
• ChEMBL ID: CHEMBL2448881
• Mol file: 5657-70-5.mol

Synonyms:1-methylpiperidine-3-carboxylic Acid;5657-70-5;1-Methyl-piperidine-3-carboxylic acid;3-Piperidinecarboxylic acid, 1-methyl-;1-METHYL-3-PIPERIDINECARBOXYLIC ACID;MFCD08059558;1-Methylpiperidine-3-carboxylicacid;NoName_3266;1-n-methylnipecotic acid;N-Methyltetrahydronicotinsaure;SCHEMBL689749;(+/-)-N-methylnipecotic acid;SCHEMBL9436046;CHEMBL2448881;DTXSID00902717;DTXSID90371716;AYIXGVABNMIOLK-UHFFFAOYSA-N;AKOS003658224;AKOS016341094;PB20225;PS-5488;SB13692;SB13693;AM807082;SY081587;BB 0220140;CS-0052422;FT-0766947;EN300-57589;1-methylpiperidine-3-carboxylic acid, AldrichCPR;A869900;J-505007;F2191-0172

Chemical Property of 1-methylpiperidine-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.00899mmHg at 25°C
• Boiling Point: 246.1°C at 760 mmHg
• PKA: 3.55±0.20(Predicted)
• Flash Point: 102.6°C
• PSA: 40.54000
• Density: 1.103g/cm³
• LogP: 0.35070
• XLogP3: -2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99%, ^*data from raw suppliers

1-Methylpiperidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC(C1)C(=O)O

Technology Process of 1-methylpiperidine-3-carboxylic Acid

There total 2 articles about 1-methylpiperidine-3-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:

Trigonelline (535-83-1) → N-methylcyclohexylamine (626-67-5) + 1-methylpiperidine-3-carboxylic acid (5657-70-5)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

Reference yield:

Trigonelline (535-83-1) + acetic acid (64-19-7,77671-22-8) → N-methylcyclohexylamine (626-67-5) + 1-methylpiperidine-3-carboxylic acid (5657-70-5)

Guidance literature:

Hydration;

Reference yield: 89.0%

(2,4-dichloro-benzyl)-(2-piperazin-1-yl-pyrimidin-4-yl)-amine (871235-45-9) + 1-methylpiperidine-3-carboxylic acid (5657-70-5) → {4-[4-(2,4-dichloro-benzylamino)-pyrimidin-2-yl]-piperazin-1-yl}-(1-methyl-piperidin-3-yl)-methanone

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; diisopropyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2005.09.022

upstream raw materials:

Trigonelline

acetic acid

Downstream raw materials:

(1-methyl-piperidin-3-yl)-phenyl-methanone

(RS)-1-Methyl-piperidine-3-carboxylic acid hydrazide

C₂₄H₃₄N₄O₂

C₁₉H₂₄ClN₅O

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