4-Chloro-2-butanone

Base Information

• Chemical Name: 4-Chloro-2-butanone
• CAS No.: 6322-49-2
• Molecular Formula: C4H7ClO
• Molecular Weight: 106.552
• European Community (EC) Number: 228-680-6
• NSC Number: 32104
• UNII: 224CY68X2V
• DSSTox Substance ID: DTXSID00212585
• Nikkaji Number: J97.982A
• Wikidata: Q72517626
• Mol file: 6322-49-2.mol

Synonyms:4-Chloro-2-butanone;4-Chlorobutan-2-one;6322-49-2;2-Butanone, 4-chloro-;2-Chloroethyl methyl ketone;1-Chloro-3-butanone;4-chloro-butan-2-one;224CY68X2V;EINECS 228-680-6;MFCD00037116;NSC-32104;chloromethyl acetone;NSC32104;methyl beta-chloroethyl ketone;SCHEMBL665490;UNII-224CY68X2V;DTXSID00212585;BCP21752;NSC 32104;AKOS005066933;CS-W022162;CS-12560;SY066120;FT-0618010;EN300-52443;F20480;A868205

Chemical Property of 4-Chloro-2-butanone

Chemical Property:

• Vapor Pressure: 4.82mmHg at 25°C
• Refractive Index: 1.4299-1.4334
• Boiling Point: 145.6 °C at 760 mmHg
• Flash Point: 45.5 °C
• PSA: 17.07000
• Density: 1.033 g/cm³
• LogP: 1.20430
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 106.0185425
• Heavy Atom Count: 6
• Complexity: 51.5

Purity/Quality:

99%Min. ^*data from raw suppliers

4-Chloro-2-butanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCl

Technology Process of 4-Chloro-2-butanone

There total 25 articles about 4-Chloro-2-butanone 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%

1-Hydroxy-3-butanone (590-90-9) → 4-chloro-2-butanone (6322-49-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 14h; Inert atmosphere;

DOI:10.1002/anie.201202375

Reference yield: 98.0%

methyl vinyl ketone (78-94-4,25038-87-3) → 4-chloro-2-butanone (6322-49-2)

Guidance literature:

With chloro-trimethyl-silane; water; for 5h; Ambient temperature;

DOI:10.1080/00397919608003752

Reference yield: 95.0%

C5H10ClN3O → 4-chloro-2-butanone (6322-49-2)

Guidance literature:

With (Bu₄N)₂S₂O₈; In 1,2-dichloro-ethane; at 80 ℃; for 1h;

DOI:10.1080/00397910008086869

upstream raw materials:

4-chloro-2-butanol

1-Hydroxy-3-butanone

methyl vinyl ketone

4-chloro-1,2-butadiene

Downstream raw materials:

8-methoxy-4a-methyl-4,4a,9,10-tetrahydro-3H-phenanthren-2-one

8a-hydroxy-4a-methyl-6-(2-methyl-cyclohexyl)-octahydro-naphthalen-2-one

methyl(3-oxobutyl)propanedioic acid diethyl ester

1-Chlor-3-methyl-pentan-3-ol

Refernces

• 1、 Sondheimer,Woodward. "-". . p. 5483. Retrieved 1953.
• 2、 Komori, Saki,Yamaguchi, Yoshiko,Murakami, Yuka,Kataoka, Yasutaka,Ura, Yasuyuki. "Palladium/Copper-catalyzed Oxidation of Aliphatic Terminal Alkenes to Aldehydes Assisted by p-Benzoquinone". . p. 3946 - 3955. Retrieved 2020/07/06.
• 3、 -. "PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES". Page/Page column 63. . Retrieved 2015/11/27.