N,N-diethyl-3H-azepin-2-amine

Base Information

• Chemical Name: N,N-diethyl-3H-azepin-2-amine
• CAS No.: 6798-41-0
• Molecular Formula: C10H16N2
• Molecular Weight: 164.25
• DSSTox Substance ID: DTXSID60480985

Synonyms:N,N-diethyl-3H-azepin-2-amine;6798-41-0;3H-Azepin-2-amine, N,N-diethyl-;2-diethylamino-3h-azepine;3H-azepin-2-yl-diethyl-amine;SCHEMBL11634548;DTXSID60480985

Chemical Property of N,N-diethyl-3H-azepin-2-amine

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=NC=CC=CC1

Technology Process of N,N-diethyl-3H-azepin-2-amine

There total 7 articles about N,N-diethyl-3H-azepin-2-amine 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: 76.0%

diethylamine (109-89-7) + Phenyl azide (622-37-7) → 2-N,N-dimethylamino-3H-azepine (6798-41-0) + N-ethyl-N-phenylamine (103-69-5) + cis-azobenzene (1080-16-6)

Guidance literature:

at -78.1 ℃; for 4h; Product distribution; Irradiation; other temperatures;

DOI:10.1016/S0040-4039(00)98947-0

Reference yield: 28.0%

N,N'-diphenyl-p-benzoquinone di-imine N,N'-dioxide (18358-64-0) + diethylamine (109-89-7) → 2,5-bis(diethylamino)cyclohexa-2,5-diene-1,4-dione (6323-02-0) + 2-N,N-dimethylamino-3H-azepine (6798-41-0) + aniline (62-53-3) + Azobenzene (1227476-15-4)

Guidance literature:

at 20 ℃; for 6h; Irradiation;

DOI:10.1039/P19820002023

Reference yield:

N,O-bis{(neopentylglycolato)boryl}hydroxylaniline + diethylamine (109-89-7) → 2-N,N-dimethylamino-3H-azepine (6798-41-0) + aniline (62-53-3) + Azobenzene (1227476-15-4) + azoxybenzene (495-48-7,55599-32-1)

Guidance literature:

at 100 ℃; for 16h; Glovebox;

DOI:10.1021/acs.orglett.9b03419

upstream raw materials:

(±)-dimethyl(phenylimino)-λ⁶-sulfanone

diethylamine

Phenyl azide

Nitrosobenzene

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