Methyl p-tolyl ketone oxime

Base Information

• Chemical Name: Methyl p-tolyl ketone oxime
• CAS No.: 2089-33-0
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2928000090
• NSC Number: 406711
• DSSTox Substance ID: DTXSID201285366
• Nikkaji Number: J134.889B
• Mol file: 2089-33-0.mol

Synonyms:Methyl p-tolyl ketone oxime;4'-Methylacetophenone oxime;p-Methylacetophenone oxime;(NZ)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine;1-(4-Methylphenyl)ethanone oxime;Acetophenone, 4'-methyl-, oxime;2089-33-0;BRN 2207081;Ethanone, 1-(4-methylphenyl)-, oxime;AI3-07287;54582-30-8;SCHEMBL12741076;DTXSID201285366;NSC406711;NSC 406711;NSC-406711;(1Z)-1-(4-Methylphenyl)ethanone oxime;E76441;4-07-00-00702 (Beilstein Handbook Reference)

Chemical Property of Methyl p-tolyl ketone oxime

Chemical Property:

• Vapor Pressure: 0.00664mmHg at 25°C
• Melting Point: 85-87 °C
• Refractive Index: 1.515
• Boiling Point: 259.4°C at 760 mmHg
• PKA: 11.52±0.70(Predicted)
• Flash Point: 149.1°C
• PSA: 32.59000
• Density: 1g/cm³
• LogP: 2.19320
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

99%, ^*data from raw suppliers

1-p-Tolyl-ethanoneoxime tech ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl p-tolyl ketone oxime

There total 11 articles about Methyl p-tolyl ketone 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: 100.0%

para-methylacetophenone (122-00-9) → 4-methylacethophenone oxime (2089-33-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; Reflux;

DOI:10.1021/acs.orglett.5b03462

Reference yield: 96.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) → 4-methylacethophenone oxime (2089-33-0)

Guidance literature:

With ethyl nitrite; tetraethylammonium borohydride; In benzene; for 27h; Ambient temperature;

DOI:10.1021/jo00256a001

Reference yield: 89.7%

→ 4-methylacethophenone oxime (2089-33-0)

Guidance literature:

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

upstream raw materials:

4-methylcinnamic acid

1-ethenyl-4-methylbenzene

1-Hydroxyamino-1-p-tolyl-ethanol

Nitroethane

Downstream raw materials:

1-p-tolyl-ethanone-((E)-O-picryl oxime )

2-amino-1-phenyl-1-p-tolyl-ethanol

1-(p-tolyl)ethylamine

phenyl-(5-phenyl-3-p-tolyl-isoxazol-4-yl)-methanone

Refernces

• 1、 -. "USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS I". Page/Page column 31. . Retrieved 2021/11/06.
• 2、 Liang, Jingwen,Rao, Yingqi,Zhu, Weidong,Wen, Tingting,Huang, Junjie,Chen, Zhichao,Chen, Lu,Li, Yibiao,Chen, Xiuwen,Zhu, Zhongzhi. "AgNO3as Nitrogen Source for Cu-Catalyzed Cyclization of Oximes with Isocyanates: A Facile Route to N-2-Aryl-1,2,3-triazoles". supporting information. p. 7028 - 7032. Retrieved 2021/09/14.