1-(Pyridin-2-yl)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(Pyridin-2-yl)piperidine-4-carboxylic acid
• CAS No.: 685827-70-7
• Molecular Formula: C11 H14 N2 O2
• Molecular Weight: 206.244
• Hs Code.: 2933990090
• European Community (EC) Number: 674-806-1
• DSSTox Substance ID: DTXSID80590474
• Mol file: 685827-70-7.mol

Synonyms:685827-70-7;1-(Pyridin-2-yl)piperidine-4-carboxylic acid;1-pyridin-2-ylpiperidine-4-carboxylic acid;1-Pyridin-2-yl-piperidine-4-carboxylic acid;n-(pyrid-2-yl)piperidine-4-carboxylic acid;3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-carboxylic acid;MFCD06796180;SCHEMBL2274636;DTXSID80590474;NUPQTEYBFNCZHX-UHFFFAOYSA-N;AKOS000174265;FS-2145;CS-0243825;1-(pyridin-2-yl)piperidi ne-4-carboxylic acid;A10444;EN300-268787;1-pyridin-2-yl-piperidine-4-carboxylic acid, AldrichCPR;Z285820296;3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-carboxylic acid

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

Chemical Property:

• Vapor Pressure: 2.2E-07mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 407.9°C at 760 mmHg
• PKA: 4.26±0.20(Predicted)
• Flash Point: 200.5°C
• PSA: 53.43000
• Density: 1.233
• LogP: 1.44760
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

3,4,5,6-Tetrahydro-2H-[1,2'']bipyridinyl-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)O)C2=CC=CC=N2

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

There total 7 articles about 1-(Pyridin-2-yl)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: 65.95%

methyl 1-(pyridin-2-yl)-piperidine-4-carboxylate (1250595-15-3) → 3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid (685827-70-7)

Guidance literature:

With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

3,4,5,6-tetrahydro-2H-[1,2']-bipyridinyl-4-carboxylic acid ethyl ester (154348-19-3) → 3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid (685827-70-7)

Guidance literature:

With sodium hydroxide; water; In 1,4-dioxane; at 20 ℃; for 72h;

Reference yield:

2-chloropyridine (109-09-1) → 3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid (685827-70-7)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide

2: sodium hydroxide; water / methanol

With water; caesium carbonate; sodium hydroxide; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2019.126743

upstream raw materials:

methyl 1-(pyridin-2-yl)-piperidine-4-carboxylate

3,4,5,6-tetrahydro-2H-[1,2']-bipyridinyl-4-carboxylic acid ethyl ester

2-bromo-pyridine

4-carbethoxypiperidine

Downstream raw materials:

C₂₀H₂₀F₃N₅

C₂₀H₂₀N₆

C₂₁H₂₅N₅