1-(3,4-Dimethoxyphenyl)ethan-1-one oxime

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)ethan-1-one oxime
• CAS No.: 75906-46-6
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.218
• DSSTox Substance ID: DTXSID401241778
• Nikkaji Number: J1.130.607A
• ChEMBL ID: CHEMBL3198132
• Mol file: 75906-46-6.mol

Synonyms:Ethanone, 1-(3,4-dimethoxyphenyl)-, oxime, (Z)-;1-(3,4-dimethoxyphenyl)ethan-1-one oxime;75906-46-6;88920-78-9;MLS000860747;CHEMBL3198132;(NZ)-N-[1-(3,4-dimethoxyphenyl)ethylidene]hydroxylamine;3',4'-Dimethoxyacetophenoneoxime;CHEBI:183453;DTXSID401241778;AKOS003725907;SMR000459531;(E)-1-(3,4-dimethoxyphenyl)ethanone oxime

Chemical Property of 1-(3,4-Dimethoxyphenyl)ethan-1-one oxime

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NO)C1=CC(=C(C=C1)OC)OC
• Isomeric SMILES: C/C(=N/O)/C1=CC(=C(C=C1)OC)OC

Technology Process of 1-(3,4-Dimethoxyphenyl)ethan-1-one oxime

There total 2 articles about 1-(3,4-Dimethoxyphenyl)ethan-1-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: 92.0%

1-(3,4-dimethoxyphenyl)ethanone (1131-62-0) → 3',4'-dimethoxyacetophenone oxime (75906-45-5,75906-46-6,88920-78-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; at 80 ℃;

DOI:10.1002/ejoc.201900844

Reference yield: 80.9%

→ 3',4'-dimethoxyacetophenone oxime (75906-45-5,75906-46-6,88920-78-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; for 3h; Reflux;

Reference yield: 96.0%

3',4'-dimethoxyacetophenone oxime (75906-45-5,75906-46-6,88920-78-9) → 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0)

Guidance literature:

With water; 2-nitro-4,5-dichloropyridazin-3(2H)-one; In methanol; at 150 ℃; for 0.166667h; under 10336 Torr; Microwave irradiation;

DOI:10.1021/jo902356e

upstream raw materials:

1-(3,4-dimethoxyphenyl)ethanone

Downstream raw materials:

3,4-dimethoxy-phenylethylamine

N-(α-(3,4-dimethoxyphenyl)ethyl)hydroxylamine

5-(4-methylimidazolyl)-3-(3,4-dimethoxyphenyl)isoxazole

1-(3,4-dimethoxyphenyl)ethanone