4-Piperidinebutyric acid, methyl ester

Base Information

• Chemical Name: 4-Piperidinebutyric acid, methyl ester
• CAS No.: 63867-69-6
• Molecular Formula: C10H19NO2
• Molecular Weight: 185.2634
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40213319
• Nikkaji Number: J935.781E
• Mol file: 63867-69-6.mol

Synonyms:63867-69-6;4-Piperidinebutyric acid, methyl ester;methyl 4-(piperidin-1-yl)butanoate;DF 494;Methyl-gamma-piperidinobutyrate;4-PIPERIDINEBUTYRIC ACID METHYL ESTER;methyl 4-piperidin-1-ylbutanoate;1-Piperidinebutanoic acid, methyl ester;SCHEMBL2127041;DTXSID40213319;BBL019817;STL195557;4-Piperidinobutyric acid methyl ester;AKOS009489840;VS-06977;LS-114437

Chemical Property of 4-Piperidinebutyric acid, methyl ester

Chemical Property:

• Vapor Pressure: 0.0131mmHg at 25°C
• Boiling Point: 259.2°Cat760mmHg
• Flash Point: 93.4°C
• PSA: 29.54000
• Density: 0.984g/cm³
• LogP: 1.36340
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 185.141578849
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCN1CCCCC1

Technology Process of 4-Piperidinebutyric acid, methyl ester

There total 7 articles about 4-Piperidinebutyric acid, methyl ester 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: 67.0%

piperidine (110-89-4) + Methyl 4-bromobutyrate (4897-84-1) → methyl 4-(piperidin-1-yl) butanoate (63867-69-6)

Guidance literature:

In neat (no solvent); at 25 - 70 ℃; for 2h;

DOI:10.3390/molecules23112984

Reference yield:

piperidine (110-89-4) + methyl 4-chlorobutyrate (3153-37-5) → methyl 4-(piperidin-1-yl) butanoate (63867-69-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 50 ℃; for 10h;

Reference yield:

1-((trimethylsilyl)methyl)piperidine (17877-17-7) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 4-(piperidin-1-yl) butanoate (63867-69-6)

Guidance literature:

With bis(2-phenylpyridinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate; (4-4′-di-tert-butyl-2,2′-bipyridine)Ni^II(2-tolyl)(I); In N,N-dimethyl-formamide; at 25 - 30 ℃; for 15h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.202006439

upstream raw materials:

4-oxo-4-piperidino-butyric acid methyl ester

piperidine

Methyl 4-bromobutyrate

1-((trimethylsilyl)methyl)piperidine

Downstream raw materials:

4-piperidin-1-ylbutanoic acid

Refernces

• 1、 -. "Cyano-containing biquaternary ammonium compound as well as preparation method and application thereof". Paragraph 0062-0064; 0074-0076. . Retrieved 2021/07/10.
• 2、 Chen, Zimin,Hu, Yuanyuan,Li, Weirong,Liao, Zixuan,Xi, Xiaoxiang,Yuan, Weiming,Zheng, Songlin. "Selective 1,2-Aryl-Aminoalkylation of Alkenes Enabled by Metallaphotoredox Catalysis". supporting information. p. 17910 - 17916. Retrieved 2020/08/21.