1,6-Dichlorohexan-2-one

Base Information

• Chemical Name: 1,6-Dichlorohexan-2-one
• CAS No.: 62343-98-0
• Molecular Formula: C6H10Cl2O
• Molecular Weight: 169.051
• DSSTox Substance ID: DTXSID70510308
• Wikidata: Q82368501
• Mol file: 62343-98-0.mol

Synonyms:62343-98-0;1,6-DICHLOROHEXAN-2-ONE;1,6-dichloro-2-hexanone;1,6-dichlorohexone;SCHEMBL1304773;DTXSID70510308;LIOIEWPUGWMDPT-UHFFFAOYSA-N;AKOS006381961;EN300-23015519

Chemical Property of 1,6-Dichlorohexan-2-one

Chemical Property:

• Boiling Point: 74-80 °C(Press: 0.01 Torr)
• PSA: 17.07000
• Density: 1.146±0.06 g/cm3(Predicted)
• LogP: 2.20340
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.0108703
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCl)CC(=O)CCl

Technology Process of 1,6-Dichlorohexan-2-one

There total 1 articles about 1,6-Dichlorohexan-2-one 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + nitrosomethylurea (36851-80-6) + aqueous potassium hydroxide + 5-Chlorovaleroyl chloride (1575-61-7) → 1,6-dichloro-2-hexanone (62343-98-0)

Guidance literature:

With hydrogenchloride;

Reference yield:

2-bromo-5-fluorobenzene-1-thiol (55389-14-5) + 1,6-dichloro-2-hexanone (62343-98-0) → 1-(2-bromo-5-fluoro-phenylsulfanyl)-6-chloro-hexan-2-one (1026698-15-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/jhet.5570390611

Reference yield:

1,6-dichloro-2-hexanone (62343-98-0) → 1-[4-(4-fluorobenzo[b]thiophene-3-yl)butyl]-4-(2-methoxyphenyl)piperazine

Guidance literature:

Multi-step reaction with 6 steps

1: potassium carbonate / dimethylformamide / 1 h / 20 °C

2: 9.44 g / polyphosphoric acid / chlorobenzene / 60 h / 150 °C

3: potassium carbonate; sodium iodide / acetonitrile / 18 h / 80 °C

4: trifluoroacetic acid / CH₂Cl₂ / 1 h / 20 °C

5: 2.28 g / lithium aluminum hydride / tetrahydrofuran / 12 h / Heating

6: 27 percent / palladium(II) acetate; (R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl; cesium carbonate / toluene / 18 h / 100 °C

With lithium aluminium tetrahydride; PPA; palladium diacetate; potassium carbonate; caesium carbonate; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl; trifluoroacetic acid; sodium iodide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; chlorobenzene; toluene; acetonitrile;

DOI:10.1002/jhet.5570390611

upstream raw materials:

diazomethane

nitrosomethylurea

5-Chlorovaleroyl chloride

Downstream raw materials:

1-(2-bromo-5-fluoro-phenylsulfanyl)-6-chloro-hexan-2-one