4-Methyl-2-pentanone oxime

Base Information

• Chemical Name: 4-Methyl-2-pentanone oxime
• CAS No.: 105-44-2
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 2928000090
• European Community (EC) Number: 203-298-2
• DSSTox Substance ID: DTXSID6044771
• ChEMBL ID: CHEMBL3185255
• Mol file: 105-44-2.mol

Synonyms:4-Methyl-2-pentanone oxime;105-44-2;N-(4-methylpentan-2-ylidene)hydroxylamine;4-Methylpentan-2-onoxim;DTXSID6044771;(E)-4-methylpentan-2-one oxime;(2E)-4-Methyl-2-pentanone oxime #;N-(4-Methyl-2-pentanylidene)hydroxylamine;Isopropylacetone Oxime;Isobutyl Methyl Ketoxime;SCHEMBL248806;CHEMBL3185255;AKOS017263161;NCGC00248332-01;FT-0619017;M0642;D91365

Chemical Property of 4-Methyl-2-pentanone oxime

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 0.434mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 0.880
• Boiling Point: 179.76 °C at 760 mmHg
• PKA: 12.36±0.10(Predicted)
• Flash Point: 88.096 °C
• PSA: 32.59000
• Density: 0.899 g/cm³
• LogP: 1.88260
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 86.5

Purity/Quality:

99.9% ^*data from raw suppliers

4-Methyl-2-pentanone Oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=NO)C

Technology Process of 4-Methyl-2-pentanone oxime

There total 6 articles about 4-Methyl-2-pentanone 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: 96.0%

4-methyl-2-pentanone (108-10-1) → 4-methyl-pentan-2-one oxime (105-44-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In water; at 0 ℃;

DOI:10.1021/acscombsci.8b00161

Reference yield: 82.0%

4-methyl-2-pentanone (108-10-1) → 4-methyl-pentan-2-one oxime (105-44-2)

Guidance literature:

Heating;

Reference yield: 74.0%

4-methyl-2-pentanone (108-10-1) → 4-methyl-pentan-2-one oxime (105-44-2) + N-isobutylacetamide (1540-94-9)

Guidance literature:

With acetylhydroxamic acid; sulfuric acid; In acetonitrile; for 11.5h; Reflux;

DOI:10.1016/j.tetlet.2011.09.019

upstream raw materials:

2-Methylpentane

4-methyl-2-pentanone

Downstream raw materials:

2-amino-4-methylpentane

4-Methylpentanoic acid

C₁₅H₂₃N₂O₄PS

C₁₄H₁₆Cl₃NO₃

Refernces

• 1、 -. "Synthesis method of O-(3-chloro-2-propenyl) hydroxylamine". Paragraph 0037; 0049-0051; 0053-0055; 0057-0059; 0061-0063. . Retrieved 2021/05/29.
• 2、 Zhu, Zhongzhi,Tang, Xiaodong,Cen, Jinghe,Li, Jianxiao,Wu, Wanqing,Jiang, Huanfeng. "Copper-catalyzed synthesis of thiazol-2-yl ethers from oxime acetates and xanthates under redox-neutral conditions". supporting information. p. 3767 - 3770. Retrieved 2018/04/17.