2-Azacyclooctanone

Base Information

• Chemical Name: 2-Azacyclooctanone
• CAS No.: 673-66-5
• Molecular Formula: C7H13NO
• Molecular Weight: 127.186
• Hs Code.: 29337900
• European Community (EC) Number: 211-611-9
• NSC Number: 77088
• DSSTox Substance ID: DTXSID60217672
• Nikkaji Number: J64.513C
• Wikidata: Q63392342
• ChEMBL ID: CHEMBL136211
• Mol file: 673-66-5.mol

Synonyms:2-azacyclooctanone;cyclo-Aha;cyclo-omega-heptanoic acid;oenantholactam

Chemical Property of 2-Azacyclooctanone

Chemical Property:

• Appearance/Colour: White to brown crystalline powder
• Melting Point: 35-38 °C(lit.)
• Refractive Index: 1.4790 (estimate)
• Boiling Point: 287.6 °C at 760 mmHg
• PKA: 16.61±0.20(Predicted)
• Flash Point: 143.3 °C
• PSA: 29.10000
• Density: 0.945 g/cm³
• LogP: 1.39550
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

Azocan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCNC(=O)CC1
• Uses: Azocan-2-one is a lactam with plant growth inhibitory activity.

Technology Process of 2-Azacyclooctanone

There total 26 articles about 2-Azacyclooctanone 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: 92.0%

cycloheptanone (502-42-1) → 7-amino-heptanoic acid lactam (673-66-5)

Guidance literature:

With sodium azide; sulfuric acid; silica gel; at 60 ℃; for 0.583333h;

Reference yield: 81.0%

7-aminoheptanoic acid (929-17-9) → 7-amino-heptanoic acid lactam (673-66-5)

Guidance literature:

With di(n-butyl)tin oxide; In toluene; for 16h; Dean-Stark; Reflux;

DOI:10.13005/ojc/350215

Reference yield: 77.0%

1-ethyl-1H-heptahydroazocin-2-on (103039-86-7) → 7-amino-heptanoic acid lactam (673-66-5) + N-acetyl-2-oxo-perhydroazocine (1889-07-2)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; In ethyl acetate; for 95h; Ambient temperature;

upstream raw materials:

cycloheptanone oxime

7-aminoheptanoic acid

cycloheptanone

piperidine

Downstream raw materials:

1-(β-hydroxy-phenethyl)-hexahydro-azocin-2-one

1-aza-2-cyclooctanthione

1-cis-styryl-hexahydro-azocin-2-one

1-methyloctahydroazocin-2-one

Refernces

• 1、 Jiao, Ning,Liu, Jianzhong,Qiu, Xu,Song, Song,Wei, Jialiang,Wen, Xiaojin,Zhang, Cheng,Zhang, Ziyao. "Nitromethane as a nitrogen donor in Schmidt-type formation of amides and nitriles". supporting information. p. 281 - 285. Retrieved 2020/01/28.
• 2、 Mohammed, Shireen. "A novel synthetic route of fused tricyclic framework quinoline derivatives from readily available aliphatic amino carboxylic acid substrates". . p. 611 - 617. Retrieved 2019/06/07.