Butanal, o-methyloxime

Base Information

• Chemical Name: Butanal, o-methyloxime
• CAS No.: 31376-98-4
• Molecular Formula: C5H11 N O
• Molecular Weight: 101.1469
• Hs Code.: 2928000090
• Mol file: 31376-98-4.mol

Synonyms:Butanal, o-methyloxime;31376-98-4;(1E)-Butanal o-methyloxime #;(1E)-Butanal o-methyloxime;SCHEMBL214149;BMDFNHAUSSAITP-AATRIKPKSA-N

Chemical Property of Butanal, o-methyloxime

Chemical Property:

• Vapor Pressure: 31.78mmHg at 25°C
• Boiling Point: 107.3°Cat760mmHg
• Flash Point: 20.9°C
• PSA: 21.59000
• Density: 0.82g/cm³
• LogP: 1.41870
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 52

Purity/Quality:

98% ^*data from raw suppliers

BUTANAL, O-METHYLOXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=NOC
• Isomeric SMILES: CCC/C=N/OC

Technology Process of Butanal, o-methyloxime

There total 4 articles about Butanal, o-methyloxime 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: 72.0%

N-methoxylamine hydrochloride (593-56-6) + butyraldehyde (123-72-8) → butanal O-methyloxime (31376-98-4)

Guidance literature:

With sodium acetate; In methanol; water; at 20 - 80 ℃; for 2.75h;

Reference yield:

butyraldehyde oxime (110-69-0) + methyl iodide (74-88-4) → butanal O-methyloxime (31376-98-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; Yield given;

DOI:10.1021/jo00086a023

Reference yield:

butyraldehyde oxime (110-69-0) + dimethyl sulfate (77-78-1) → butanal O-methyloxime (31376-98-4)

Guidance literature:

DOI:10.1021/jo00821a046

upstream raw materials:

butyraldehyde oxime

dimethyl sulfate

methyl iodide

N-methoxylamine hydrochloride

Downstream raw materials:

1-(1-Methoxyamino-butyl)-cyclohexanol

Refernces

• 1、 Shono, Tatsuya,Kise, Naoki,Fujimoto, Taku,Yamanami, Ayuko,Nomura, Ryoji. "Electroorganic Chemistry. 144. Electroreductive Coupling of Ketones with O-Methyl Oximes, N,N-Dimethylhydrazones, amd Nitrones. A Convenient Route to Synthesis of β-Amino Alcohol". . p. 1730 - 1740. Retrieved 2007/10/02.