N-Methylphenylnitrone

Base Information

• Chemical Name: N-Methylphenylnitrone
• CAS No.: 7372-59-0
• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.166
• European Community (EC) Number: 810-477-4
• NSC Number: 255268
• ChEMBL ID: CHEMBL1642495
• Mol file: 7372-59-0.mol

Synonyms:N-methyl-C-phenylnitrone

Chemical Property of N-Methylphenylnitrone

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

BENZALDEHYDE N-METHYLOXIME AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-Methylphenylnitrone

There total 31 articles about N-Methylphenylnitrone 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%

N-methylhydroxyamine hydrochloride (4229-44-1) + benzaldehyde (100-52-7) → N-(benzylidene)methylamine N-oxide (3376-23-6,7372-59-0,59862-60-1)

Guidance literature:

In sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1055/s-2005-869992

Reference yield: 97.0%

N-Methyl-N,O-bis(trimethylsilyl)hydroxylamine (22737-33-3) + benzaldehyde (100-52-7) → C-phenyl-N-methylnitrone (3376-23-6,7372-59-0,59862-60-1)

Guidance literature:

In benzene; at 50 ℃; for 24h;

DOI:10.1021/jo00350a110

Reference yield: 95.0%

N-methylhydroxyamine hydrochloride (4229-44-1) + benzaldehyde (100-52-7) → C-phenyl-N-methylnitrone (3376-23-6,7372-59-0,59862-60-1)

Guidance literature:

With sodium hydrogencarbonate; calcium chloride; In diethyl ether; at 0 ℃; for 2h;

DOI:10.1021/jo00192a047

upstream raw materials:

nitromethane

phenylmagnesium bromide

trimethoxonium tetrafluoroborate

O-(trimethylsilyl)-E-benzaldoxime

Downstream raw materials:

4-(4-methoxy-phenyl)-2-methyl-3-phenyl-5-(2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-[1,2,4]oxadiazolidine

2-methyl-3,4-diphenyl-5-(2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-[1,2,4]oxadiazolidine

2-methyl-3c-phenyl-(3ac,3bt,7at,7bc)-2,3,3a,3b,4,7,7a,7b-octahydro-4r,7c-etheno-benzo[3,4]cyclobuta[1,2-d]isoxazole-5,6-dicarboxylic acid dimethyl ester

2-methyl-3ξ-phenyl-(3at,4ac,6ac,7at)-2,3,3a,4,4a,6a,7,7a-octahydro-4r,7c-etheno-cyclobuta[4,5]benzo[1,2-d]isoxazole-8,9-dicarboxylic acid dimethyl ester

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