2,4-Dimethylpentan-3-one oxime

Base Information

• Chemical Name: 2,4-Dimethylpentan-3-one oxime
• CAS No.: 1113-74-2
• Molecular Formula: C7H15 N O
• Molecular Weight: 129.202
• Hs Code.: 2928000090
• European Community (EC) Number: 214-208-6
• NSC Number: 32350
• DSSTox Substance ID: DTXSID00149589
• Nikkaji Number: J217.236D
• Mol file: 1113-74-2.mol

Synonyms:2,4-Dimethylpentan-3-one oxime;1113-74-2;N-(2,4-dimethylpentan-3-ylidene)hydroxylamine;2,4-Dimethyl-3-pentanone oxime;3-Pentanone, 2,4-dimethyl-, oxime;EINECS 214-208-6;2,4-DIMETHYL-PENTAN-3-ONE OXIME;methylethylketoxim;diisopropyl ketoxime;NSC32350;Diisopropyl ketone oxime;SCHEMBL185719;2,4-Dimethylpentan-3-oneoxime;SCHEMBL8010539;3-Pentanone,4-dimethyl-, oxime;DTXSID00149589;MFCD00182586;NSC 32350;NSC-32350;AKOS017258601;LS-09051;CS-0364938

Chemical Property of 2,4-Dimethylpentan-3-one oxime

Chemical Property:

• Vapor Pressure: 0.199mmHg at 25°C
• Melting Point: 34°C
• Refractive Index: 1.4419 (estimate)
• Boiling Point: 193.7°Cat760mmHg
• Flash Point: 98.8°C
• PSA: 32.59000
• Density: 0.9g/cm³
• LogP: 2.12860
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 95.5

Purity/Quality:

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

2,4-Dimethylpentan-3-one oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=NO)C(C)C

Technology Process of 2,4-Dimethylpentan-3-one oxime

There total 4 articles about 2,4-Dimethylpentan-3-one 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: 95.0%

2,4-dimethylpentan-3-one (565-80-0) → diisopropyl ketone oxime (1113-74-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; for 31h; Reflux;

DOI:10.1021/jacs.1c09066

Reference yield:

2,4-dimethylpentan-3-one-O-(phenylmethyl)oxime (681856-03-1) → diisopropyl ketone oxime (1113-74-2) + diisopropylmethanimine (132554-96-2) + toluene (108-88-3,15644-74-3,16713-13-6) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

In tetralin; at 149.84 ℃; for 264h; Further Variations:; Solvents; Kinetics; Product distribution;

DOI:10.1039/b313491a

Reference yield:

2,4-dimethylpentane (108-08-7) → diisopropyl ketone oxime (1113-74-2)

Guidance literature:

With nitrosylchloride; Irradiation;

upstream raw materials:

2,4-dimethylpentan-3-one

2,4-dimethylpentane

2,4-dimethylpentan-3-one-O-(phenylmethyl)oxime

Downstream raw materials:

N-isopropylisobutyramide

2,4-dimethylpentan-3-one

N-benzyl-N-(2,4-dimethylpent-2-en-3-yl)acetamide

ethyl 2-benzyl-2-{[(2,4-dimethylpentan-3-ylidene)amino]oxy}-3-oxobutanoate

Refernces

• 1、 Ishiyama, Takashi,Kanai, Motomu,Maruyama, Katsuya,Oisaki, Kounosuke,Sakai, Kentaro,Seki, Yohei,Togo, Takaya. "Protein Modification at Tyrosine with Iminoxyl Radicals". supporting information. p. 19844 - 19855. Retrieved 2021/11/30.
• 2、 Mo, Xiaobin,Morgan, Timothy D. R.,Ang, Hwee Ting,Hall, Dennis G.. "Scope and mechanism of a true organocatalytic beckmann rearrangement with a boronic acid/perfluoropinacol system under ambient conditions". supporting information. p. 5264 - 5271. Retrieved 2018/04/24.