tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
• CAS No.: 849547-86-0
• Molecular Formula: C13H24N2O4
• Molecular Weight: 272.34
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20583022
• Mol file: 849547-86-0.mol

Synonyms:849547-86-0;tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;3-ETHOXYCARBONYLMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;MFCD09701327;tert-butyl (3S)-3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;SCHEMBL21315839;DTXSID20583022;tert-Butyl3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;VWQBZJHXQZMMGP-UHFFFAOYSA-N;ZIB54786;AKOS016005386;Ethyl 2-(4-Boc-2-piperazinyl)acetate;SB39012;AS-47841;SY260651;CS-0096156;F16344;t-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;Tert-butyl (3R)-3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;4-((1,1-Dimethylethoxy)carbonyl)-2-piperazineacetic acid ethyl ester

Chemical Property of tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate

Chemical Property:

• PSA: 67.87000
• LogP: 1.41520
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 272.17360725
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

3-Ethoxycarbonylmethyl-piperazine-1-carboxylicacidtert-butylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CN(CCN1)C(=O)OC(C)(C)C

Technology Process of tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate

There total 2 articles about tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-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:

ethyl (1,4-dibenzylpiperazin-2-yl)acetate (162510-50-1) → tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate (849547-86-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; palladium on carbon; hydrogen / methanol

2: potassium carbonate

With hydrogenchloride; palladium on carbon; hydrogen; potassium carbonate; In methanol;

DOI:10.1016/j.bmcl.2011.06.024

Reference yield:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + 2-(piperazin-2-yl)acetic acid ethyl ester → tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate (849547-86-0)

Guidance literature:

With potassium carbonate;

DOI:10.1016/j.bmcl.2011.06.024

Reference yield:

tert-Butyl 3-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate (849547-86-0) → C16H19N3O2

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane

2: hydrogenchloride / 1,4-dioxane

With hydrogenchloride; In 1,4-dioxane; dichloromethane;

DOI:10.1016/j.bmcl.2011.06.024

upstream raw materials:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

ethyl (1,4-dibenzylpiperazin-2-yl)acetate

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