Methyl 1-acetylpiperidine-4-carboxylate

Base Information

• Chemical Name: Methyl 1-acetylpiperidine-4-carboxylate
• CAS No.: 126291-66-5
• Molecular Formula: C₉H₁₅NO₃
• Molecular Weight: 185.223
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60409237
• Wikidata: Q82214977
• Mol file: 126291-66-5.mol

Synonyms:Methyl 1-acetylpiperidine-4-carboxylate;126291-66-5;1-Acetyl-piperidine-4-carboxylic acid methyl ester;SCHEMBL3861785;DTXSID60409237;XCGYEEUWADWLCT-UHFFFAOYSA-N;BFA29166;AB9589;MFCD02862113;AKOS003593166;AM91473;SB41914;CS-0217370;FT-0730821;1-Acetyl-piperidine-4-carboxylicacidmethylester;EN300-7399632

Chemical Property of Methyl 1-acetylpiperidine-4-carboxylate

Chemical Property:

• PSA: 46.61000
• LogP: 0.35580
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

≥95% ^*data from raw suppliers

1-Acetyl-piperidine-4-carboxylicacidmethylester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC(CC1)C(=O)OC

Technology Process of Methyl 1-acetylpiperidine-4-carboxylate

There total 3 articles about Methyl 1-acetylpiperidine-4-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: 98.0%

methanol (67-56-1) + 1-acetyl-piperidine-4-carbonyl chloride hydrochloride (95037-48-2) → 1-acetyl-piperidine-4-carboxylic acid methyl ester (126291-66-5)

Guidance literature:

With triethylamine; at 0 - 20 ℃; for 20h;

Reference yield:

1-acetyl-piperidine-4-carboxylic acid (25503-90-6) + diazomethyl-trimethyl-silane (18107-18-1) → 1-acetyl-piperidine-4-carboxylic acid methyl ester (126291-66-5)

Guidance literature:

In diethyl ether;

Reference yield:

isonipecotic acid methyl ester (2971-79-1) + acetic anhydride (108-24-7) → 1-acetyl-piperidine-4-carboxylic acid methyl ester (126291-66-5)

Guidance literature:

DOI:10.1021/ja01104a046

upstream raw materials:

isonipecotic acid methyl ester

acetic anhydride

1-acetyl-piperidine-4-carboxylic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

1-acetyl-piperidine-4-carboxylic acid hydrazide

1-ethyl-4-hydroxymethylpiperidine