1,1-Dimethylpiperidin-1-ium-2-carboxylate

Base Information

• Chemical Name: 1,1-Dimethylpiperidin-1-ium-2-carboxylate
• CAS No.: 1195-94-4
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID701235328
• Wikidata: Q3882313
• Mol file: 1195-94-4.mol

Synonyms:1195-94-4;HBOA trihexose;1,1-dimethylpiperidin-1-ium-2-carboxylate;C08283;CHEBI:5757;DTXSID701235328;(2S)-1,1-DIMETHYL-2,3,4,5-TETRAHYDROPYRROLE-2-CARBOXYLATE;1,1-dimethylpiperidinium-2-carboxylate;N,N-dimethyl-piperidinium-2-carboxylate;Piperidinium, 2-carboxy-1,1-dimethyl-, inner salt;Q3882313

Chemical Property of 1,1-Dimethylpiperidin-1-ium-2-carboxylate

Chemical Property:

• Melting Point: 207-208 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 40.13000
• Density: g/cm³
• LogP: -0.67600
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

PROLINE BETAINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCCC1C(=O)[O-])C

Technology Process of 1,1-Dimethylpiperidin-1-ium-2-carboxylate

There total 6 articles about 1,1-Dimethylpiperidin-1-ium-2-carboxylate 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: 85.0%

N,N-Dimethyl-piperidinium-2-carbonsaeure-ethylester-jodid (83836-25-3) → N,N-Dimethyl-piperidinium-2-carbonsaeure-betain (472-22-0,1195-94-4)

Guidance literature:

With silver(l) oxide;

DOI:10.1007/BF00809013

Reference yield:

pipecolic Acid (4043-87-2,83680-83-5) + methyl iodide (74-88-4) → N,N-Dimethyl-piperidinium-2-carbonsaeure-betain (472-22-0,1195-94-4)

Guidance literature:

With potassium hydrogencarbonate; In methanol; at 20 ℃;

DOI:10.1021/jf204286r

Reference yield:

pipecolinic acid (3105-95-1,83680-83-5) + methyl iodide (74-88-4) → homostachydrine (1195-94-4,472-22-0)

Guidance literature:

pipecolinic acid; methyl iodide; In methanol; at 20 ℃; for 16h; Darkness; Alkaline aq. solution;

With hydrogenchloride; In methanol; water;

DOI:10.1002/jms.2029

upstream raw materials:

N,N-Dimethyl-piperidinium-2-carbonsaeure-ethylester-jodid

ethyl 1-methylpiperidine-2-carboxylate

pipecolic Acid

methyl iodide