2-Ethylazepane

Base Information

• Chemical Name: 2-Ethylazepane
• CAS No.: 80053-54-9
• Molecular Formula: C₈H₁₇N
• Molecular Weight: 127.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70402052
• Nikkaji Number: J2.105.906D
• Mol file: 80053-54-9.mol

Synonyms:2-ethylazepane;80053-54-9;2-ETHYLHEXAHYDRO-1H-AZEPINE;SCHEMBL83802;DTXSID70402052;ASNQKEGSBHCDHK-UHFFFAOYSA-N;AKOS008152564;EN300-82666;Z992736884

Chemical Property of 2-Ethylazepane

Chemical Property:

• Boiling Point: 170.8±8.0 °C(Predicted)
• PKA: 11.30±0.40(Predicted)
• PSA: 12.03000
• Density: 0.806±0.06 g/cm3(Predicted)
• LogP: 2.25740
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

97% ^*data from raw suppliers

2-ethylazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1CCCCCN1

Technology Process of 2-Ethylazepane

There total 1 articles about 2-Ethylazepane 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:

triethylaluminum (97-93-8) + cyclohexanone oxime methanesulfonate (80053-69-6) → 2-ethylhexahydro-1H-azepine (80053-54-9)

Guidance literature:

With diisobutylaluminium hydride; Yield given. Multistep reaction; 1.) CH₂Cl₂, 0 deg C, 1 h, 2.) 0 deg C, 1 h;

DOI:10.1021/ja00347a052

upstream raw materials:

triethylaluminum

cyclohexanone oxime methanesulfonate