6-Chloro-2,2-dimethylhexanenitrile

Base Information

• Chemical Name: 6-Chloro-2,2-dimethylhexanenitrile
• CAS No.: 53545-94-1
• Molecular Formula: C8H14 Cl N
• Molecular Weight: 159.659
• NSC Number: 99214
• DSSTox Substance ID: DTXSID70968305
• Wikidata: Q82951063
• Mol file: 53545-94-1.mol

Synonyms:6-chloro-2,2-dimethylhexanenitrile;53545-94-1;Hexanenitrile,6-chloro-2,2-dimethyl-;NSC99214;SCHEMBL20943652;DTXSID70968305;NSC-99214;AKOS006387775;EN300-136624

Chemical Property of 6-Chloro-2,2-dimethylhexanenitrile

Chemical Property:

• Vapor Pressure: 0.0286mmHg at 25°C
• Boiling Point: 245.5°Cat760mmHg
• Flash Point: 83.3°C
• Density: 0.965g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 159.0814771
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCCCCl)C#N

Technology Process of 6-Chloro-2,2-dimethylhexanenitrile

There total 2 articles about 6-Chloro-2,2-dimethylhexanenitrile 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: 92.0%

4-chlorobutyl bromide (6940-78-9) + Isobutyronitrile (78-82-0) → 2,2-dimethyl-6-chloro-n-hexanenitrile (53545-94-1)

Guidance literature:

Isobutyronitrile; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -70 ℃; for 0.333333h; Inert atmosphere;

4-chlorobutyl bromide; In tetrahydrofuran; hexane; at -70 ℃; for 2.5h;

Reference yield:

2-lithio-2-methylpropionitrile (50654-53-0) + 1,4-dichlorobutane (110-56-5) → 2,2-dimethyl-6-chloro-n-hexanenitrile (53545-94-1)

Guidance literature:

In diethyl ether;

Reference yield: 92.0%

2,2-dimethyl-6-chloro-n-hexanenitrile (53545-94-1) + 1-(5-ethyl-2,4-dihydroxyphenyl)ethanone (4460-42-8) → 6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylhexanenitrile (140660-12-4)

Guidance literature:

With potassium carbonate; potassium iodide; In butanone; for 30h;

DOI:10.1016/j.bmc.2014.01.032

upstream raw materials:

4-chlorobutyl bromide

Isobutyronitrile

2-lithio-2-methylpropionitrile

1,4-dichlorobutane

Downstream raw materials:

2,2-dimethylhexanenitrile

2,2-Dimethyl-6-methylsulfon-cyclohexanon

3,3-dimethyl-2-oxocyclohexanecarbonitrile

6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylhexanenitrile

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 53545-94-1 6-chloro-2,2-dimethylhexanenitrile

Send

Send

Metric Ton KG G Pound L ML

Send

Send