Butanal oxime

Base Information

• Chemical Name: Butanal oxime
• CAS No.: 110-69-0
• Molecular Formula: C4H9NO
• Molecular Weight: 87.1216
• Hs Code.: 2928.00
• European Community (EC) Number: 203-792-8
• NSC Number: 1487
• UN Number: 2840
• UNII: S80Y8WX6RW
• Nikkaji Number: J1.083.741C,J55.496K
• Wikidata: Q27270794
• Mol file: 110-69-0.mol

Synonyms:butyraldoxime

Chemical Property of Butanal oxime

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 2.26mmHg at 25°C
• Melting Point: -29.5°C
• Refractive Index: 1.4367
• Boiling Point: 148.968 °C at 760 mmHg
• PKA: 11.03±0.11(Predicted)
• Flash Point: 64.514 °C
• PSA: 32.59000
• Density: 0.894 g/cm³
• LogP: 1.24650
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: <0.1 g/100 mL at 20℃
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 42.8
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

Butyraldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 36-24-22
• Safety Statements: 45-36-23

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Oximes
• Canonical SMILES: CCCC=NO
• Isomeric SMILES: CCC/C=N\O
• Uses: Butyraldoxime can be used to create an anti-counterfeiting ink formulation.

Technology Process of Butanal oxime

There total 10 articles about Butanal 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%

butyraldehyde (123-72-8) → butyraldehyde oxime (110-69-0)

Guidance literature:

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

DOI:10.1016/j.tetlet.2010.12.090

Reference yield: 82.0%

N-butylamine (109-73-9,85404-21-3) → butyraldehyde oxime (110-69-0)

Guidance literature:

With diperoxydodecanedioic acid; In N,N-dimethyl-formamide; at 20 - 55 ℃; for 0.333333h;

DOI:10.1039/c5nj00801h

Reference yield: 78.0%

n-Pentylamine (110-58-7) → butyraldehyde oxime (110-69-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In ethyl acetate; at 20 ℃; for 0.333333h;

DOI:10.1021/acs.joc.5b01740

upstream raw materials:

butyraldehyde

N-butylamine

dibutylamine

methyl-phenyl-thioether

Downstream raw materials:

propyl cyanide

butanamide

N-butylamine

3-Ethyl-chinolin-4-carbonsaeure

Refernces

• 1、 Bhutia, Zigmee T.,Das, Avijit,Biswas, Malabika,Chatterjee, Amrita,Banerjee, Mainak. "7-Oxa-4-thia-1-aza-bicyclo[3.2.1]octane 4,4-Dioxides: Mechanochemical Synthesis by Tandem Michael Addition–1,3-Dipolar Cycloaddition of Aldoximes and Evaluation of Antibacterial Activities". . p. 506 - 514. Retrieved 2018.
• 2、 Wang, Gangqiang,Chen, Rongxing,Zhao, Sen,Yang, Liangfeng,Guo, Haibing,Sun, Shaofa,Wang, Jian,Domena, Justin,Xing, Yalan. "Efficient synthesis of 1,2,4-oxadiazine-5-ones via [3+3] cycloaddition of in situ generated aza-oxyallylic cations with nitrile oxides". supporting information. p. 2018 - 2020. Retrieved 2018/04/25.