1-(4-Methoxybenzyl)piperazin-2-one

Base Information

• Chemical Name: 1-(4-Methoxybenzyl)piperazin-2-one
• CAS No.: 893747-38-1
• Molecular Formula: C12H16N2O2
• Molecular Weight: 220.271
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10602372
• Wikidata: Q82499397
• Mol file: 893747-38-1.mol

Synonyms:1-(4-Methoxybenzyl)piperazin-2-one;893747-38-1;1-[(4-methoxyphenyl)methyl]piperazin-2-one;1-(4-Methoxy-benzyl)-piperazin-2-one;SCHEMBL20133743;DTXSID10602372;MFCD06804116;AKOS000351498;SB39678;DA-18537;CS-0363574;G62657

Chemical Property of 1-(4-Methoxybenzyl)piperazin-2-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 418.658°C at 760 mmHg
• PKA: 7.70±0.20(Predicted)
• Flash Point: 206.997°C
• PSA: 41.57000
• Density: 1.145g/cm³
• LogP: 0.89370
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

1-(4-methoxybenzyl)piperazin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CN2CCNCC2=O

Technology Process of 1-(4-Methoxybenzyl)piperazin-2-one

There total 2 articles about 1-(4-Methoxybenzyl)piperazin-2-one 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: 84.37%

tert-butyl 4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carboxylate (1221433-33-5) → 1-[(4-methoxyphenyl)methyl]piperazin-2-one (893747-38-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 2h;

Reference yield:

p-methoxybenzyl chloride (824-94-2) → 1-[(4-methoxyphenyl)methyl]piperazin-2-one (893747-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; N,N-dimethyl-formamide / 2 h / 20 °C

1.2: 70 °C

2.1: hydrogenchloride / 1,4-dioxane / 20 °C

With hydrogenchloride; sodium hydride; In 1,4-dioxane; N,N-dimethyl-formamide; mineral oil;

DOI:10.1016/j.bmc.2017.11.030

Reference yield: 69.0%

1-[(4-methoxyphenyl)methyl]piperazin-2-one (893747-38-1) + 1,3-dibromo-propane (109-64-8) → 4-(3-bromopropyl)-1-(4-methoxybenzyl)piperazin-2-one

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 96h;

DOI:10.1016/j.bmc.2017.11.030

upstream raw materials:

tert-butyl 4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carboxylate

p-methoxybenzyl chloride