Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate

Base Information

• Chemical Name: Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate
• CAS No.: 95629-02-0
• Molecular Formula: C8H12BrNO3
• Molecular Weight: 250.092
• Hs Code.: 2933399090
• European Community (EC) Number: 675-933-5
• DSSTox Substance ID: DTXSID70549830
• Mol file: 95629-02-0.mol

Synonyms:95629-02-0;Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate;3-bromo-4-oxo-piperidine-1-carboxylic acid ethyl ester;ethyl 3-bromo-4-oxopiperidine-1-carboxylate;ethyl 3-bromo-4-oxo-1-piperidinecarboxylate;1-carbethoxy-3-bromo-4-piperidone;C8H12BrNO3;1-PIPERIDINECARBOXYLIC ACID, 3-BROMO-4-OXO-, ETHYL ESTER;3-bromo-4-oxo-1-ethoxycarbonyl-piperidine;SCHEMBL160444;ETHYL3-BROMO-4-OXO-PIPERIDINE-1-CARBOXYLATE;DTXSID70549830;DVJZXYGZKFZHQX-UHFFFAOYSA-N;MFCD06796218;AKOS015897837;AB29360;DS-13082;Ethyl3-bromo-4-oxopiperidine-1-carboxylate;CS-0172362;3-bromo-2-ethyl-4-oxo-piperidine-1-carboxylate;A845354;3-BROMO-4-OXO-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER

Chemical Property of Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 320.161 °C at 760 mmHg
• Flash Point: 147.428 °C
• PSA: 46.61000
• Density: 1.539g/cm³
• LogP: 1.11910
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.00006
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-bromo-4-oxo-piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCC(=O)C(C1)Br

Technology Process of Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate

There total 2 articles about Ethyl 3-bromo-4-oxo-piperidine-1-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:

N-ethoxycarbonyl-4-piperidone (29976-53-2) → ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (95629-02-0)

Guidance literature:

With bromine; In chloroform;

Reference yield:

copper(II)bromide (7789-45-9) + N-ethoxycarbonyl-4-piperidone (29976-53-2) → ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (95629-02-0)

Guidance literature:

In chloroform; ethyl acetate;

Reference yield: 19.0%

ethyl 3-bromo-4-oxo-1-piperidinecarboxylate (95629-02-0) + ethyl 5-hydroxy-1H-pyrazole-3-carboxylate (85230-37-1) → ethyl 3-{[(3-ethoxycarbonyl)-1H-pyrazol-5-yl]oxy}-4-oxopiperidine-1-carboxylate (623932-10-5)

Guidance literature:

With potassium carbonate; In acetonitrile; for 16h; Heating / reflux;

upstream raw materials:

N-ethoxycarbonyl-4-piperidone

copper(II)bromide

Downstream raw materials:

ethyl 3-{[(3-ethoxycarbonyl)-1H-pyrazol-5-yl]oxy}-4-oxopiperidine-1-carboxylate

ethyl 3-hydroxy-4,4-dimethoxy-1-piperidinecarboxylate

2-[4-(4-methoxycarbonyl-phenyl)-tetrahydro-pyran-4-yl]-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid ethyl ester

C₂₀H₂₄N₂O₅S