1-Ethyl-1,4-diazepane

Base Information

• Chemical Name: 1-Ethyl-1,4-diazepane
• CAS No.: 3619-73-6
• Molecular Formula: C7H16N2
• Molecular Weight: 128.217
• Hs Code.: 29335990
• European Community (EC) Number: 679-374-8
• DSSTox Substance ID: DTXSID00428821
• Wikidata: Q72474147
• Mol file: 3619-73-6.mol

Synonyms:1-ethyl-1,4-diazepane;3619-73-6;1-ETHYLHOMOPIPERAZINE;1-Ethyl-[1,4]diazepane;MFCD06808650;SCHEMBL65385;DTXSID00428821;CWFLFGDTTKLLGN-UHFFFAOYSA-N;BCP31478;1-Ethylhexahydro-1H-1,4-diazepine;1-Ethyl-1,4-diazepane, AldrichCPR;AKOS000147106;TS-01688;CS-0124385;FT-0607761;EN300-61307;I11453;4-(N-MORPHOLINO)-BENZENEMETHYLCARBOXYLATE;A874406;J-504586;Z239604554

Chemical Property of 1-Ethyl-1,4-diazepane

Chemical Property:

• Vapor Pressure: 1.17mmHg at 25°C
• Refractive Index: 1.4780
• Boiling Point: 175 °C at 760 mmHg
• PKA: 10.61±0.20(Predicted)
• Flash Point: 59.2 °C
• PSA: 3.24000
• Density: 0.861 g/cm³
• LogP: 1.82020
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Air Sensitive
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.131348519
• Heavy Atom Count: 9
• Complexity: 73.3

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCCNCC1

Technology Process of 1-Ethyl-1,4-diazepane

There total 5 articles about 1-Ethyl-1,4-diazepane 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: 40.0%

N-acetylhomopiperizine (61903-11-5) → 1-ethyl-1,4-homopiperazine (3619-73-6)

Guidance literature:

N-acetylhomopiperizine; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 60 ℃; for 2h;

With hydrogenchloride; water; In tetrahydrofuran;

Reference yield:

1-(benzyl carboxy)-4-ethyl-homopiperazine (1609534-99-7) → 1-ethyl-1,4-homopiperazine (3619-73-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 17h;

Reference yield:

1,4-Diazacycloheptane (505-66-8) + ethyl iodide (75-03-6) → 1-ethyl-1,4-homopiperazine (3619-73-6)

Guidance literature:

In ethanol;

upstream raw materials:

1,4-Diazacycloheptane

ethyl iodide

N-acetylhomopiperizine

benzyl 1,4-diazepane-1-carboxylate

Downstream raw materials:

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-5-(4-ethyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide

1,1-diethyl-4-(phenyl-4-benzyloxy)-homopiperazinium tosylate

1,1-diethyl-4-(phenyl-4-hydroxy)-homopiperazinium tosylate

1-(phenyl-4-benzyloxy)-4-ethyl-homopiperazine

Refernces

• 1、 -. "COMBINATION THERAPY AND METHODS FOR THE TREATMENT OF RESPIRATORY DISEASES". . . Retrieved 2014/05/24.
• 2、 -. "Benzoheterocyclic derivatives". Page column 87. . Retrieved 2010/01/21.