CYCLOBUTYL METHYL KETONE

Base Information

• Chemical Name: CYCLOBUTYL METHYL KETONE
• CAS No.: 3019-25-8
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• Hs Code.: 29142900
• European Community (EC) Number: 221-163-6
• DSSTox Substance ID: DTXSID50184263
• Nikkaji Number: J80.618H
• Wikidata: Q72459403
• Mol file: 3019-25-8.mol

Synonyms:Ketone,cyclobutyl methyl (6CI,7CI,8CI);1-Cyclobutylethan-1-one;1-Cyclobutylethanone;Acetylcyclobutane;Cyclobutane, acetyl-;Cyclobutyl methyl ketone;Methylcyclobutyl ketone;

Chemical Property of CYCLOBUTYL METHYL KETONE

Chemical Property:

• Appearance/Colour: clear colorless to yellow-greenish liquid
• Vapor Pressure: 7.02mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 137.5 °C at 760 mmHg
• Flash Point: 32.3 °C
• PSA: 17.07000
• Density: 0.96 g/cm³
• LogP: 1.37550
• Storage Temp.: Flammables area
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 82.2

Purity/Quality:

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

1-cyclobutylethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 16-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1CCC1
• Uses: Cyclobutyl methyl ketone may be used as a model compound to study the oxidation mechanism of pinonic acid by hydroxyl radicals.

Technology Process of CYCLOBUTYL METHYL KETONE

There total 15 articles about CYCLOBUTYL METHYL KETONE 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: 90.0%

acetoacetic acid methyl ester (105-45-3) + 1,3-dibromo-propane (109-64-8) → 1-cyclobutylethanone (3019-25-8)

Guidance literature:

acetoacetic acid methyl ester; 1,3-dibromo-propane; With sodium hydride; at 55 ℃; for 3h; Inert atmosphere;

With hydrogenchloride; In water; at 60 ℃; for 2h; pH=8 - 9;

Reference yield: 90.0%

Cyclobutanecarboxylic acid (3721-95-7) + methyllithium (917-54-4) → 1-cyclobutylethanone (3019-25-8)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 3h;

DOI:10.1055/s-0035-1560753

Reference yield: 84.0%

acetoacetic acid methyl ester (105-45-3) + ethylene dibromide (106-93-4) → 1-cyclobutylethanone (3019-25-8)

Guidance literature:

acetoacetic acid methyl ester; ethylene dibromide; With sodium hydride; at 50 - 55 ℃; for 3h; Inert atmosphere;

With hydrogenchloride; In water; at 60 ℃; for 2h; pH=8 - 9;

upstream raw materials:

cyclobutyl amide

cyclopentanecarboxylic acid

cyclobutane-1,1'-dicarboxylic acid

ethyl cyclobutylcarboxylate

Downstream raw materials:

1-Acetyl-1-<2,4-dinitro-benzolsulfenyl>-cyclobutan

ethane

cyclobutene

1-(cyclobutyl)-1,3-butandione

Refernces

• 1、 Ewing, William R.,Hong, Kai,Hu, Liang,Luo, Fan,Xiao, Li-Jun,Yeung, Kap-Sun,Yu, Jin-Quan. "PdII-Catalyzed Enantioselective C(sp3)–H Arylation of Cyclobutyl Ketones Using a Chiral Transient Directing Group". . p. 9594 - 9600. Retrieved 2020/04/17.
• 2、 -. "Synthetic method of novel feed additive". Paragraph 0016; 0017; 0018. . Retrieved 2017/12/06.