2-(Dimethylamino)-1-(piperazin-1-yl)ethanone

Base Information

• Chemical Name: 2-(Dimethylamino)-1-(piperazin-1-yl)ethanone
• CAS No.: 670252-70-7
• Molecular Formula: C8H17N3O
• Molecular Weight: 171.242
• European Community (EC) Number: 695-566-4
• DSSTox Substance ID: DTXSID00588151
• Wikidata: Q82480663
• Mol file: 670252-70-7.mol

Synonyms:670252-70-7;2-(Dimethylamino)-1-(piperazin-1-yl)ethanone;2-(dimethylamino)-1-piperazin-1-ylethanone;1-(2-dimethylaminoacetyl)piperazine;2-(Dimethylamino)-1-(piperazin-1-yl)ethan-1-one;2-Dimethylamino-1-piperazin-1-yl-ethanone;Piperazine, 1-[(dimethylamino)acetyl]- (9CI);SCHEMBL188200;DTXSID00588151;JJQYLNCTJNLITN-UHFFFAOYSA-N;AKOS000126923;AT23107;MCULE-5610407121;DB-328414

Chemical Property of 2-(Dimethylamino)-1-(piperazin-1-yl)ethanone

Chemical Property:

• PSA: 35.58000
• LogP: -0.75350
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.137162174
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

N,N-DIMETHYL-N-(2-OXO-2-PIPERAZIN-1-YLETHYL)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC(=O)N1CCNCC1

Technology Process of 2-(Dimethylamino)-1-(piperazin-1-yl)ethanone

There total 2 articles about 2-(Dimethylamino)-1-(piperazin-1-yl)ethanone 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%

benzyl 4-(2-dimethylaminoacetyl)piperazine-1-carboxylate (670252-69-4) → 2-(dimethylamino)-1-(piperazin-1-yl)ethan-1-one (670252-70-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; under 760.051 Torr;

Reference yield:

N,N-dimethylammonium chloride (506-59-2) + tert-butyl 4-(2-chloroacetyl)piperazine-1-carboxylate (190001-40-2) → 2-(dimethylamino)-1-(piperazin-1-yl)ethan-1-one (670252-70-7)

Guidance literature:

N,N-dimethylammonium chloride; tert-butyl 4-(2-chloroacetyl)piperazine-1-carboxylate; With potassium carbonate; In acetonitrile; at 20 ℃; for 3h; Inert atmosphere;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 70.0%

2-(dimethylamino)-1-(piperazin-1-yl)ethan-1-one (670252-70-7) + 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(pyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine (1421372-08-8) → 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methoxy-2-nitrophenyl]piperazin-1-yl]-2-dimethylaminoethanone

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 140 ℃; for 1.5h; Microwave irradiation; Inert atmosphere;

DOI:10.1021/jm500973a

upstream raw materials:

benzyl 4-(2-dimethylaminoacetyl)piperazine-1-carboxylate

N,N-dimethylammonium chloride

tert-butyl 4-(2-chloroacetyl)piperazine-1-carboxylate

Downstream raw materials:

C₂₇H₃₀N₆O₃

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