Ethyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate

Base Information

• Chemical Name: Ethyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate
• CAS No.: 100524-99-0
• Molecular Formula: C₁₂H₂₀BrNO₄
• Molecular Weight: 322.199
• DSSTox Substance ID: DTXSID40694745
• Mol file: 100524-99-0.mol

Synonyms:100524-99-0;2-(3-BROMO-2-OXOPROPYL)-3-METHOXY-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER;ethyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate;DTXSID40694745;WWPBKNRTGKNWSZ-UHFFFAOYSA-N;AKOS015911619;AM20080579;FT-0764699;A800225;1-Piperidinecarboxylic acid, 2-(3-bromo-2-oxopropyl)-3-methoxy-, ethyl ester

Chemical Property of Ethyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate

Chemical Property:

• PSA: 55.84000
• Density: 1.36
• LogP: 1.91430
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 321.05757
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCCC(C1CC(=O)CBr)OC

Technology Process of Ethyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-1-carboxylate

There total 1 articles about Ethyl 2-(3-bromo-2-oxopropyl)-3-methoxypiperidine-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: 95.0%

2-bromoacetone-3-methoxy-1-piperidine + chloroformic acid ethyl ester (541-41-3) → 2-bromoacetone-3-methoxy-1-piperidine ethyl carboxylate (100524-99-0)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; water; at 0 ℃; for 3h;

Reference yield:

2-bromoacetone-3-methoxy-1-piperidine ethyl carboxylate (100524-99-0) → 5-(4-chloro-phenyl)-3-[3-(3-methoxy-[2]piperidyl)-2-oxo-propyl]-6-methyl-3H-pyrimidin-4-one; dihydrochloride

Guidance literature:

With sodium methylate; Erhitzen des Reaktionsprodukts mit wss. HCl;

DOI:10.1021/jo01130a003

Reference yield:

2-bromoacetone-3-methoxy-1-piperidine ethyl carboxylate (100524-99-0) → 3-[3-(3-methoxy-[2]piperidyl)-2-oxo-propyl]-6-phenyl-3H-quinazolin-4-one; dihydrochloride

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous HCl

With hydrogenchloride;

DOI:10.1021/jo01135a015

upstream raw materials:

chloroformic acid ethyl ester

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