Methyl 2-methyl-3-(piperidin-1-yl)propanoate

Base Information

• Chemical Name: Methyl 2-methyl-3-(piperidin-1-yl)propanoate
• CAS No.: 4151-04-6
• Molecular Formula: C10H19 N O2
• Molecular Weight: 185.266
• Hs Code.: 2933399090
• European Community (EC) Number: 223-976-1
• DSSTox Substance ID: DTXSID90961792
• Nikkaji Number: J224.949I
• Mol file: 4151-04-6.mol

Synonyms:methyl 2-methyl-3-(piperidin-1-yl)propanoate;4151-04-6;methyl 2-methyl-3-piperidin-1-ylpropanoate;Methyl alpha-methylpiperidine-1-propionate;SCHEMBL9774559;DTXSID90961792;EINECS 223-976-1;MFCD08234501;AKOS008960004;SB41871;2-Methyl-3-piperidinopropanoic acid methyl ester;METHYL2-METHYL-3-(PIPERIDIN-1-YL)PROPANOATE

Chemical Property of Methyl 2-methyl-3-(piperidin-1-yl)propanoate

Chemical Property:

• Boiling Point: 253.2°Cat760mmHg
• PKA: 8.59±0.10(Predicted)
• Flash Point: 91.9°C
• PSA: 29.54000
• Density: 0.982g/cm³
• LogP: 1.21930
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 185.141578849
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-methyl-3-(piperidin-1-yl)propanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1CCCCC1)C(=O)OC

Technology Process of Methyl 2-methyl-3-(piperidin-1-yl)propanoate

There total 3 articles about Methyl 2-methyl-3-(piperidin-1-yl)propanoate 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: 98.0%

piperidine (110-89-4) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → methyl 3-piperidinyl-2-methylpropionate (4151-04-6)

Guidance literature:

copper; In methanol; at 20 ℃; for 1h;

DOI:10.1055/s-2006-949623

Reference yield:

piperidine (110-89-4) + 3-bromo-2-methyl-propionic acid methyl ester (20609-71-6) → methyl 3-piperidinyl-2-methylpropionate (4151-04-6)

Guidance literature:

With diethyl ether;

Reference yield:

→ methyl 3-piperidinyl-2-methylpropionate (4151-04-6)

Guidance literature:

DOI:10.1021/jm00292a040 DOI:10.1021/jm00330a023

upstream raw materials:

piperidine

methacrylic acid methyl ester

3-bromo-2-methyl-propionic acid methyl ester

Downstream raw materials:

β-piperidino-isobutyric acid anilide

perfluoro(N-iso-propylpiperidine)

perfluoropentane

perfluoro-(1-ethylpiperidine)