3-Methoxy-3-propyl-2-hexanone O-(((4-chlorophenyl)amino)carbonyl)oxime

Base Information

• Chemical Name: 3-Methoxy-3-propyl-2-hexanone O-(((4-chlorophenyl)amino)carbonyl)oxime
• CAS No.: 192658-27-8
• Molecular Formula: C17H25ClN2O3
• Molecular Weight: 340.845
• Nikkaji Number: J845.504J
• Mol file: 192658-27-8.mol

Synonyms:3-Methoxy-3-propyl-2-hexanone O-(((4-chlorophenyl)amino)carbonyl)oxime;2-Hexanone, 3-methoxy-3-propyl-, O-(((4-chlorophenyl)amino)carbonyl)oxime;192658-27-8;LS-75481;3-Methoxy-3-propyl-2-hexanone O-(4-chlorophenylcarbamoyl)oxime

Chemical Property of 3-Methoxy-3-propyl-2-hexanone O-(((4-chlorophenyl)amino)carbonyl)oxime

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.1g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 340.1553704
• Heavy Atom Count: 23
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)(C(=NOC(=O)NC1=CC=C(C=C1)Cl)C)OC
• Isomeric SMILES: CCCC(CCC)(/C(=N\OC(=O)NC1=CC=C(C=C1)Cl)/C)OC

Technology Process of 3-Methoxy-3-propyl-2-hexanone O-(((4-chlorophenyl)amino)carbonyl)oxime

There total 4 articles about 3-Methoxy-3-propyl-2-hexanone O-(((4-chlorophenyl)amino)carbonyl)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: 15.0%

p-chlorphenylisocyanate (104-12-1) + 3-Methoxy-3-propyl-hexan-2-one oxime (192658-17-6) → C17H25ClN2O3 (192658-27-8)

Guidance literature:

With triethylamine; In diethyl ether; for 18h; Heating;

DOI:10.1016/S0223-5234(97)89090-3

Reference yield:

3-propyl-hex-1-yn-3-ol (682-28-0) → C17H25ClN2O3 (192658-27-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) NaNH₂ / 1.) Et₂O, reflux, 1 h, 2.) Et₂O, reflux, 1 h

2: 58 percent / HgO / aq. H₂SO₄ / 2 h / Heating

3: 90 percent / NH₂OH*HCl, pyridine / various solvent(s) / 2 h / Heating

4: 15 percent / Et₃N / diethyl ether / 18 h / Heating

With pyridine; hydroxylamine hydrochloride; sodium amide; triethylamine; mercury(II) oxide; In diethyl ether; sulfuric acid;

DOI:10.1016/S0223-5234(97)89090-3

Reference yield:

(1,1-dipropyl-prop-2-ynyl)-methyl ether (192658-13-2) → C17H25ClN2O3 (192658-27-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 58 percent / HgO / aq. H₂SO₄ / 2 h / Heating

2: 90 percent / NH₂OH*HCl, pyridine / various solvent(s) / 2 h / Heating

3: 15 percent / Et₃N / diethyl ether / 18 h / Heating

With pyridine; hydroxylamine hydrochloride; triethylamine; mercury(II) oxide; In diethyl ether; sulfuric acid;

DOI:10.1016/S0223-5234(97)89090-3

upstream raw materials:

p-chlorphenylisocyanate

3-Methoxy-3-propyl-hexan-2-one oxime

3-propyl-hex-1-yn-3-ol

(1,1-dipropyl-prop-2-ynyl)-methyl ether