6-Chloroundecane

Base Information

• Chemical Name: 6-Chloroundecane
• CAS No.: 20351-26-2
• Molecular Formula: C11H23Cl
• Molecular Weight: 190.75300
• Hs Code.: 2903199000
• DSSTox Substance ID: DTXSID50432812
• Wikidata: Q82246923
• Mol file: 20351-26-2.mol

Synonyms:6-chloroundecane;20351-26-2;SCHEMBL4447269;DTXSID50432812;MBRZKXSZTXEFSO-UHFFFAOYSA-N;AKOS006331234

Chemical Property of 6-Chloroundecane

Chemical Property:

• Melting Point: -16.9°C (estimate)
• Refractive Index: 1.4306 (estimate)
• Boiling Point: 248.29°C (estimate)
• PSA: 0.00000
• Density: 0.8662 (estimate)
• LogP: 4.75440
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 190.1488284
• Heavy Atom Count: 12
• Complexity: 71.1

Purity/Quality:

98%Min ^*data from raw suppliers

6-CHLOROUNDECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(CCCCC)Cl

Technology Process of 6-Chloroundecane

There total 4 articles about 6-Chloroundecane 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: 83.0%

6-undecanol (23708-56-7) → 6-chloro-undecane (20351-26-2)

Guidance literature:

With Ethyl trichloroacetate; triphenylphosphine; In dichloromethane; at -5 - 0 ℃;

Reference yield: 75.7%

6-methanesulfonyloxyundecane (390393-96-1) → 6-chloro-undecane (20351-26-2)

Guidance literature:

With lithium chloride; In N,N-dimethyl-formamide; at 50 - 55 ℃; for 3h;

Reference yield:

dipentyl ketone (927-49-1) → 6-chloro-undecane (20351-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Raney-Ni / 150 °C / 152000 Torr

2: SOCl₂, Py

With pyridine; thionyl chloride; hydrogen; nickel;

upstream raw materials:

6-undecanol

hexanoic acid

dipentyl ketone

6-methanesulfonyloxyundecane

Downstream raw materials:

4-acetoxy-3,5-di-tert-butyl-2-(1-hydroxy-2-pentylheptyl)phenol

Refernces

• 1、 Matveeva, E. D.,Kurts, A. L.,Yalovskaya, A. I.,Nikishova, N. G.,Bundel', Yu. G.. "REGIOSPECIFIC AND STEREOSPECIFIC SUBSTITUTION OF HYDROXYL IN ALIPHATIC ALCOHOLS BY HALOGEN". . p. 642 - 646. Retrieved 2007/10/02.