P-Tolylglyoxyloyl chloride, oxime

Base Information

• Chemical Name: P-Tolylglyoxyloyl chloride, oxime
• CAS No.: 33108-89-3
• Molecular Formula: C9H8 Cl N O2
• Molecular Weight: 197.621
• NSC Number: 767
• DSSTox Substance ID: DTXSID40429978
• Mol file: 33108-89-3.mol

Synonyms:NSC767;33108-89-3;SCHEMBL11806639;DTXSID40429978;NSC-767;P-TOLYLGLYOXYLOYL CHLORIDE, OXIME

Chemical Property of P-Tolylglyoxyloyl chloride, oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 356.434°C at 760 mmHg
• Flash Point: 169.366°C
• Density: 1.262g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.0243562
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of P-Tolylglyoxyloyl chloride, oxime

There total 6 articles about P-Tolylglyoxyloyl chloride, 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:

para-methylacetophenone (122-00-9) → C9H8ClNO2 (33108-89-3)

Guidance literature:

With hydrogenchloride; i-propyl nitrite;

DOI:10.1021/jm00159a021

Reference yield:

p-methylphenacyl chloride (4209-24-9) → N-hydroxy-2-oxo-2-p-tolyl-acetimidoyl chloride (33108-89-3)

Guidance literature:

With hydrogenchloride; n-Butyl nitrite; In diethyl ether; Ambient temperature;

DOI:10.1002/jhet.5570240330

Reference yield:

n-Butyl nitrite (544-16-1) + p-methylphenacyl chloride (4209-24-9) → N-hydroxy-2-oxo-2-p-tolyl-acetimidoyl chloride (33108-89-3)

Guidance literature:

With hydrogenchloride; diethyl ether;

DOI:10.1021/jo01199a002

upstream raw materials:

p-tolylglyoxalmonoxime

para-methylacetophenone

n-Butyl nitrite

p-methylphenacyl chloride

Downstream raw materials:

4-(5-methyl-1-phenyl-1H-pyrazol-4-carbonyl)-3-(4-methylbenzoyl)isoxazole

isopropyl [3-(4-toluoyl)-1,2,4-oxadiazol-5-yl]acetate

[3-(4-Toluoyl)-1,2,4-oxadiazol-5-yl]acetamide

[3-(4-toluoyl)-1,2,4-oxadiazol-5-yl]acetic acid

Refernces

• 1、 Bedford,Miura,Bottaro,Howd,Nolen III. "Nonquaternary cholinesterase reactivators. 4. Dialkylaminoalkyl thioesters of α-keto thiohydroximic acids as reactivators of ethyl methylphosphonyl- and 1,2,2-trimethylpropyl methylphosphonyl-acetylcholinesterase in vitro". . p. 1689 - 1696. Retrieved 2007/10/02.