Ethanone, 1-(4-(2-methylpropyl)phenyl)-, oxime

Base Information

• Chemical Name: Ethanone, 1-(4-(2-methylpropyl)phenyl)-, oxime
• CAS No.: 74305-51-4
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Nikkaji Number: J2.163.836F
• Mol file: 74305-51-4.mol

Synonyms:Ethanone, 1-(4-(2-methylpropyl)phenyl)-, oxime;74305-51-4;4'-Isobutylacetophenoneoxime

Chemical Property of Ethanone, 1-(4-(2-methylpropyl)phenyl)-, oxime

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 299°Cat760mmHg
• Flash Point: 179.4°C
• Density: 0.97g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(=NO)C
• Isomeric SMILES: CC(C)CC1=CC=C(C=C1)/C(=N\O)/C

Technology Process of Ethanone, 1-(4-(2-methylpropyl)phenyl)-, oxime

There total 2 articles about Ethanone, 1-(4-(2-methylpropyl)phenyl)-, 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: 90.0%

ibuproxam (53648-05-8) → 1-(4-isobutyl-phenyl)-ethanone (38861-78-8) + ibuprofen (15687-27-1,58560-75-1) + 4'-(2-methylpropyl)acetophenone oxime (74305-51-4) + 4-(2-methylpropyl)phenylethylamine (164579-51-5)

Guidance literature:

at 110 ℃; for 24h; under 760 Torr; Product distribution; other temperature, reaction time;

DOI:10.1002/jps.2600690511

Reference yield: 90.0%

1-(4-isobutyl-phenyl)-ethanone (38861-78-8) → 4'-(2-methylpropyl)acetophenone oxime (74305-51-4)

Guidance literature:

With hydroxylamine; In methanol; for 6h; Heating;

DOI:10.1002/jps.2600690511

Reference yield: 98.0%

4'-(2-methylpropyl)acetophenone oxime (74305-51-4) → N-<4-(2-methylpropyl)phenyl>acetamide (20331-32-2)

Guidance literature:

With ammonium peroxydisulfate; dimethyl sulfoxide; In 1,4-dioxane; at 100 ℃; for 5h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01634

upstream raw materials:

1-(4-isobutyl-phenyl)-ethanone

ibuproxam

Downstream raw materials:

1-(4-(2'-methylpropyl)phenyl)ethyl hydroxylamine

1-(4-isobutyl-phenyl)-ethanone

N-Acetoxy-N-[1-(4-isobutyl-phenyl)-ethyl]-acetamide

dimethyl 5-(4-isobutylphenyl)-1H-pyrrole-2,3-dicarboxylate

Refernces

• 1、 Xiao, Fuhong,Yuan, Shanshan,Huang, Huawen,Zhang, Feng,Deng, Guo-Jun. "Copper-Catalyzed Three-Component Domino Cyclization for the Synthesis of 4-Aryl-5-(arythio)-2-(trifluoromethyl)oxazoles". supporting information. p. 8533 - 8536. Retrieved 2019/10/17.
• 2、 Zhu, Zhongzhi,Tang, Xiaodong,Li, Xianwei,Wu, Wanqing,Deng, Guohua,Jiang, Huanfeng. "Palladium-Catalyzed C-H Functionalization of Aromatic Oximes: A Strategy for the Synthesis of Isoquinolines". . p. 1401 - 1409. Retrieved 2016/03/01.