Azepan-2-one oxime

Base Information

• Chemical Name: Azepan-2-one oxime
• CAS No.: 19214-08-5
• Molecular Formula: C₆H₁₂N₂O
• Molecular Weight: 128.174
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60365248
• Nikkaji Number: J441.067J
• ChEMBL ID: CHEMBL1858137
• Mol file: 19214-08-5.mol

Synonyms:Azepan-2-one oxime;19214-08-5;N-(azepan-2-ylidene)hydroxylamine;(2Z)-Azepan-2-one oxime;N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine;(E)-Azepan-2-one oxime;N-[(2E)-azepan-2-ylidene]hydroxylamine;2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-hydroxy-;1217429-92-9;2H-Azepin-7-amine,3,4,5,6-tetrahydro-N-hydroxy-;caprolactam-oxime;starbld0015291;2-hydroximinohomopiperidine;SCHEMBL283680;(2Z)-N-hydroxyazepan-2-imine;CHEMBL1858137;DTXSID60365248;Hexahydro-2H-azepin-2-one oxime;PPOHPUOKXMNCCI-UHFFFAOYSA-N;DNDI953892;HMS1741N15;MFCD00053062;STK367561;AKOS000122472;AKOS006230750;AKOS030232408;AS-9277;CS-0449006;FT-0622521;EN300-05860;J-519608;Z56928892

Chemical Property of Azepan-2-one oxime

Chemical Property:

• Vapor Pressure: 0.00421mmHg at 25°C
• Melting Point: 168℃
• Boiling Point: 247.4°C at 760 mmHg
• Flash Point: 103.4°C
• PSA: 44.62000
• Density: 1.19g/cm³
• LogP: 1.26650
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.094963011
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%min ^*data from raw suppliers

N-(azepan-2-ylidene)hydroxylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=NCC1)NO

Technology Process of Azepan-2-one oxime

There total 4 articles about Azepan-2-one oxime 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:

O-methylcaprolactim (2525-16-8) → perhydro-2-azepinone oxime (19214-08-5)

Guidance literature:

With methanol; hydroxylamine hydrochloride; sodium hydrogencarbonate;

Reference yield:

1-azacycloheptane-2-thione (7203-96-5) → perhydro-2-azepinone oxime (19214-08-5)

Guidance literature:

With methanol; hydroxylamine hydrochloride; sodium hydrogencarbonate;

Reference yield:

1-aza-2-methylthio-1-cycloheptene (39488-50-1) → perhydro-2-azepinone oxime (19214-08-5)

Guidance literature:

With methanol; hydroxylamine hydrochloride; sodium hydrogencarbonate;

upstream raw materials:

1-azacycloheptane-2-thione

O-methylcaprolactim

1-aza-2-methylthio-1-cycloheptene

Downstream raw materials:

(E)-9-(4-Chloro-phenyl)-1,7,9-triaza-bicyclo[6.2.0]dec-7-en-10-one

(E)-9-Phenyl-1,7,9-triaza-bicyclo[6.2.0]dec-7-en-10-one

Refernces