1,1-Dichloro-2-butanone

Base Information

• Chemical Name: 1,1-Dichloro-2-butanone
• CAS No.: 2648-56-8
• Molecular Formula: C4H6 Cl2 O
• Molecular Weight: 140.997
• DSSTox Substance ID: DTXSID3021568
• Wikidata: Q81983809
• Mol file: 2648-56-8.mol

Synonyms:1,1-Chloro-2-butanone;1,1-dichlorobutan-2-one;1,1-Dichloro-2-butanone;2-Butanone, 1,1-dichloro-;2648-56-8;dichlorobutanone;2-Butanone, 1,1-dichloro;SCHEMBL2703448;DTXSID3021568;LS-195336;InChI=1/C4H6Cl2O/c1-2-3(7)4(5)6/h4H,2H2,1H

Chemical Property of 1,1-Dichloro-2-butanone

Chemical Property:

• Vapor Pressure: 5.76mmHg at 25°C
• Boiling Point: 141.8°C at 760 mmHg
• Flash Point: 48.3°C
• Density: 1.227g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 139.9795702
• Heavy Atom Count: 7
• Complexity: 70.1

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(Cl)Cl

Technology Process of 1,1-Dichloro-2-butanone

There total 5 articles about 1,1-Dichloro-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:

butanone (78-93-3) → 1,1-Dichloro-2-butanone (2648-56-8) + 3,3-Dichloro-2-butanone (2648-57-9) + 1,3-dichlorobutan-2-one (16714-77-5)

Guidance literature:

With sulfuryl dichloride; at 40 - 50 ℃; for 1.5h;

Reference yield:

butanone (78-93-3) → 1,1-Dichloro-2-butanone (2648-56-8) + 1,3-dichlorobutan-2-one (16714-77-5)

Guidance literature:

With chlorine; In tetrachloromethane; Product distribution; 1.) below 40 deg C, 2.) room temperature, 0.5 h;

DOI:10.1021/jo00325a019

Reference yield:

methanol (67-56-1) + butanone (78-93-3) → 1,1-Dichloro-2-butanone (2648-56-8) + 1,1-Dichloro-2,2-dimethoxybutane (2648-62-6) + 1,3-Dichloro-2,2-dimethoxybutane (77416-05-8) + 1,3-dichlorobutan-2-one (16714-77-5)

Guidance literature:

With chlorine; Product distribution; 1.) 20-50 deg C, 2.) room temperature, 0.5 h;

DOI:10.1021/jo00325a019

upstream raw materials:

methanol

butanone

hydrogenchloride

acetic acid

Downstream raw materials:

N'-[(1E)-1-(dichloromethyl)propylidene]-4-methylbenzenesulfonylhydrazide

1,3-dichlorobutan-2-one

Refernces

• 1、 Gallucci, R. R.,Going, R.. "Chlorination of Aliphatic Ketones in Methanol". . p. 2532 - 2538. Retrieved 2007/10/02.