Benzenamine, N-[(2-chlorophenyl)methylene]-4-methyl-, N-oxide

Base Information

• Chemical Name: Benzenamine, N-[(2-chlorophenyl)methylene]-4-methyl-, N-oxide
• CAS No.: 105609-11-8
• Molecular Formula: C14H12ClNO
• Molecular Weight: 245.708
• DSSTox Substance ID: DTXSID70395798
• Mol file: 105609-11-8.mol

Synonyms:105609-11-8;Benzenamine, N-[(2-chlorophenyl)methylene]-4-methyl-, N-oxide;SCHEMBL11409594;DTXSID70395798

Chemical Property of Benzenamine, N-[(2-chlorophenyl)methylene]-4-methyl-, N-oxide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.0607417
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)[N+](=CC2=CC=CC=C2Cl)[O-]

Technology Process of Benzenamine, N-[(2-chlorophenyl)methylene]-4-methyl-, N-oxide

There total 2 articles about Benzenamine, N-[(2-chlorophenyl)methylene]-4-methyl-, N-oxide 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: 53.0%

N-(4-methylphenyl)hydroxylamine (623-10-9) + 2-chloro-benzaldehyde (89-98-5) → C-(2-chlorophenyl)-N-(4-methylphenyl)nitrone (105609-11-8)

Guidance literature:

In chloroform; at 20 ℃;

Reference yield:

1-methyl-4-nitrobenzene (99-99-0) → C-(2-chlorophenyl)-N-(4-methylphenyl)nitrone (105609-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium chloride; zinc / water / 65 °C

2: chloroform / 20 °C

With ammonium chloride; zinc; In chloroform; water;

DOI:10.1016/j.bmc.2011.05.027

Reference yield: 65.0%

C-(2-chlorophenyl)-N-(4-methylphenyl)nitrone (105609-11-8) + N-cyclohexylmaleimide (1631-25-0) → 3-(2''-chlorophenyl)-5-cyclohexyl-2-(4'-methylphenyl)-4H-2,3,3a,5,6,6a-hexahydropyrrolo[3,4-d]isoxazole-4,6-dione

Guidance literature:

In toluene; Reflux; Inert atmosphere;

DOI:10.1002/jhet.2543

upstream raw materials:

N-(4-methylphenyl)hydroxylamine

2-chloro-benzaldehyde

1-methyl-4-nitrobenzene

Downstream raw materials:

2-chlorobenzaldehyde 4-tolylimine

N-(2-chlorobenzyl)-4-methylaniline

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