2-Chloro-2,6-dimethylheptane

Base Information

• Chemical Name: 2-Chloro-2,6-dimethylheptane
• CAS No.: 14093-16-4
• Molecular Formula: C9H19 Cl
• Molecular Weight: 162.703
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID40379803
• Wikidata: Q82169773
• Mol file: 14093-16-4.mol

Synonyms:2-chloro-2,6-dimethylheptane;14093-16-4;Heptane, 2-chloro-2,6-dimethyl-;SCHEMBL18723208;DTXSID40379803

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

Chemical Property:

• PSA: 0.00000
• LogP: 3.83010
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 162.1175283
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99%min ^*data from raw suppliers

2-CHLORO-2,6-DIMETHYLHEPTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)(C)Cl

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

There total 2 articles about 2-Chloro-2,6-dimethylheptane 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:

6-methylheptan-2-one (928-68-7) → 2-chloro-2,6-dimethyl-heptane (14093-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: aq. HCl, CaCl₂

With hydrogenchloride; calcium chloride; In diethyl ether;

DOI:10.1002/hlca.19670500202

Reference yield:

2,6-dimethylheptan-2-ol (13254-34-7) → 2-chloro-2,6-dimethyl-heptane (14093-16-4)

Guidance literature:

With hydrogenchloride; calcium chloride;

DOI:10.1002/hlca.19670500202

Reference yield:

2-chloro-2,6-dimethyl-heptane (14093-16-4) → 2,6-dimethylheptan-2-ol (13254-34-7)

Guidance literature:

In ethanol; at 25 ℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.);

DOI:10.1021/jo00367a001

upstream raw materials:

2,6-dimethylheptan-2-ol

6-methylheptan-2-one

Downstream raw materials:

2,6-dimethylheptan-2-ol