1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine

Base Information

• Chemical Name: 1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine
• CAS No.: 78201-80-6
• Molecular Formula: C₂₁H₃₃N₃O₂
• Molecular Weight: 359.512
• Hs Code.: 2933599090
• NSC Number: 355639
• UNII: 8XC2K63IJD
• DSSTox Substance ID: DTXSID20228840
• Nikkaji Number: J117.824E
• Wikidata: Q83108916
• Mol file: 78201-80-6.mol

Synonyms:1-(4-diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine;DEAB-HDOP

Chemical Property of 1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine

Chemical Property:

• Vapor Pressure: 7.75E-10mmHg at 25°C
• Melting Point: 73-75 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 492.3°C at 760 mmHg
• PKA: 6.25±0.32(Predicted)
• Flash Point: 194.9°C
• PSA: 43.86000
• Density: 1.074g/cm³
• LogP: 3.15970
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 359.25727730
• Heavy Atom Count: 26
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

1-(4-DIETHYLAMINOBENZYL)-4-N-HEXYL-2,3-DIOXOPIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(CC)CC

Technology Process of 1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine

There total 5 articles about 1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine 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:

4-Diethylaminobenzaldehyde (120-21-8) → 1-(4-diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine (78201-80-6)

Guidance literature:

Multi-step reaction with 5 steps

1: benzene / 4 h / Heating

2: NaBH₄ / methanol / 3 h

3: KOH

4: 56.7 percent / ethanol / 3 h / Heating

5: 1.) 50percent NaH

With potassium hydroxide; sodium tetrahydroborate; sodium hydride; In methanol; ethanol; benzene;

DOI:10.1248/cpb.29.684

Reference yield:

N-(4-diethylaminobenzyl)-ethylenediamine (78201-82-8) → 1-(4-diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine (78201-80-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 56.7 percent / ethanol / 3 h / Heating

2: 1.) 50percent NaH

With sodium hydride; In ethanol;

DOI:10.1248/cpb.29.684

Reference yield:

N-[2-(4-Diethylamino-benzylamino)-ethyl]-acetamide (1042626-48-1) → 1-(4-diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine (78201-80-6)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH

2: 56.7 percent / ethanol / 3 h / Heating

3: 1.) 50percent NaH

With potassium hydroxide; sodium hydride; In ethanol;

DOI:10.1248/cpb.29.684

upstream raw materials:

1-(4-diethylaminobenzyl)-2,3-dioxopiperazine

4-Diethylaminobenzaldehyde

N-(4-diethylaminobenzyl)-ethylenediamine

N-[2-(4-Diethylamino-benzylamino)-ethyl]-acetamide