Isoamyl Methyl Ketoxime

Base Information

• Chemical Name: Isoamyl Methyl Ketoxime
• CAS No.: 624-44-2
• Molecular Formula: C7H15 N O
• Molecular Weight: 129.202
• Hs Code.: 2928000090
• European Community (EC) Number: 210-845-9
• DSSTox Substance ID: DTXSID70870712
• Nikkaji Number: J49.427E
• Wikidata: Q76403984
• Mol file: 624-44-2.mol

Synonyms:5-Methyl-2-hexanone oxime;624-44-2;Isoamyl Methyl Ketoxime;SCHEMBL250664;DTXSID70870712;M0643;N-((2Z)-5-Methyl-2-hexanylidene)hydroxylamine;119180-08-4

Chemical Property of Isoamyl Methyl Ketoxime

Chemical Property:

• Refractive Index: 1.4450 to 1.4480
• Boiling Point: 239.29°C (rough estimate)
• Flash Point: 104.126oC
• PSA: 32.59000
• Density: 0.89
• LogP: 2.27270
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methyl-2-hexanone Oxime >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isoamyl Methyl Ketoxime

There total 2 articles about Isoamyl Methyl Ketoxime 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:

5-Methyl-2-hexanone (110-12-3) → 5-methyl-hexan-2-one oxime (624-44-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; at 70 ℃; for 3h;

DOI:10.1002/adsc.201801198 DOI:10.1021/acs.orglett.8b03865

Reference yield:

(3-methylbutyl)magnesium bromide (4548-78-1) → 5-methyl-hexan-2-one oxime (624-44-2)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide / tetrahydrofuran / 6 h / -78 - 20 °C / Inert atmosphere

2: hydroxylamine hydrochloride; sodium acetate / ethanol; water / 3 h / 70 °C

With copper(l) iodide; hydroxylamine hydrochloride; sodium acetate; In tetrahydrofuran; ethanol; water;

DOI:10.1002/adsc.201801198

Reference yield: 92.0%

5-methyl-hexan-2-one oxime (624-44-2) → 5-Methyl-2-hexanone (110-12-3)

Guidance literature:

With hydrogenchloride; sodium chlorite; In water; at 20 ℃; for 0.0833333h;

DOI:10.2174/157017861201150112125024

upstream raw materials:

5-Methyl-2-hexanone

(3-methylbutyl)magnesium bromide

Downstream raw materials:

5-Methyl-hexan-2-one O-(5-amino-2,4-dinitro-phenyl)-oxime

5-Methyl-hexan-2-one O-(2,4-dinitro-phenyl)-oxime

5-Methyl-2-hexanone

C₁₃H₁₇N₃O₅