2-Benzylidenecyclohexanone oxime

Base Information

• Chemical Name: 2-Benzylidenecyclohexanone oxime
• CAS No.: 114506-90-0
• Molecular Formula: C13H15 N O
• Molecular Weight: 201.268
• NSC Number: 627223
• ChEMBL ID: CHEMBL3212200
• Mol file: 114506-90-0.mol

Synonyms:2-Benzylidenecyclohexanone oxime;114506-90-0;NSC627223;(NE)-N-[(2E)-2-benzylidenecyclohexylidene]hydroxylamine;(1E,2E)-2-(phenylmethylidene)cyclohexanone oxime;MLS000702498;SCHEMBL9583988;CHEMBL3212200;(2E)-2-benzylidenecyclohexanone oxime;NSC-627223;NCGC00247226-01;SMR000228507;AN-308/15495013

Chemical Property of 2-Benzylidenecyclohexanone oxime

Chemical Property:

• Vapor Pressure: 3.21E-06mmHg at 25°C
• Boiling Point: 372.9°Cat760mmHg
• Flash Point: 236°C
• Density: 1.07g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.115364102
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=NO)C(=CC2=CC=CC=C2)C1
• Isomeric SMILES: C1CC/C(=N\O)/C(=C/C2=CC=CC=C2)/C1

Technology Process of 2-Benzylidenecyclohexanone oxime

There total 2 articles about 2-Benzylidenecyclohexanone 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: 99.0%

(E)-2-benzylidenecyclohexanone (5682-83-7,31021-02-0,1467-15-8) → 2-(phenylmethylene)cyclohexanone oxime (114506-90-0,35235-98-4)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; for 1h; Heating;

DOI:10.1021/jm00403a013

Reference yield:

→ 2-(phenylmethylene)cyclohexanone oxime (114506-90-0,35235-98-4)

Guidance literature:

Reference yield: 73.0%

2-(phenylmethylene)cyclohexanone oxime (114506-90-0,35235-98-4) → 1,2,3,4-tetrahydroacridine (3295-64-5)

Guidance literature:

With sulfuric acid; In methanol; for 2.5h; Irradiation;

DOI:10.1016/S0040-4039(00)92352-9

upstream raw materials:

(E)-2-benzylidenecyclohexanone

Downstream raw materials:

1,2,3,4-tetrahydroacridine

(E)-2-(phenylmethylene)cyclohexanamine

(E)-2-(phenylmethylene)cyclohexanamine hydrochloride

2-methyl-3,4-diphenyl-5,6,7,8-tetrahydroquinoline

Refernces

• 1、 Hiebert, Charles K.,Silverman, Richard B.. "1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine Analogues. Inactivation of Monoamine Oxidase by Conformationally Rigid Analogues of N,N-Dimethylcinnamylamine". . p. 1566 - 1570. Retrieved 2007/10/02.