1,5-Dichloro-3,3-dimethylpentane

Base Information

• Chemical Name: 1,5-Dichloro-3,3-dimethylpentane
• CAS No.: 62496-53-1
• Molecular Formula: C7H14Cl2
• Molecular Weight: 169.094
• DSSTox Substance ID: DTXSID50510467
• Nikkaji Number: J1.395.987K
• Mol file: 62496-53-1.mol

Synonyms:1,5-dichloro-3,3-dimethyl-pentane;1,5-DICHLORO-3,3-DIMETHYLPENTANE;62496-53-1;SCHEMBL9861666;DTXSID50510467;AKOS006381941

Chemical Property of 1,5-Dichloro-3,3-dimethylpentane

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 168.0472558
• Heavy Atom Count: 9
• Complexity: 61.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCCl)CCCl

Technology Process of 1,5-Dichloro-3,3-dimethylpentane

There total 2 articles about 1,5-Dichloro-3,3-dimethylpentane 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:

ethene (74-85-1) + 2,2-dichloropropane (594-20-7) → 1,3-dichloro-3-methylbutane (624-96-4) + 1,5-dichloro-3,3-dimethyl-pentane (62496-53-1)

Guidance literature:

With aluminium trichloride; at -20 ℃; under 14710.2 Torr;

Reference yield:

1-benzoyl-4,4-dimethyl-piperidine (858850-55-2) + phosphorus pentachloride (10026-13-8,874483-75-7) → 1,5-dichloro-3,3-dimethyl-pentane (62496-53-1) + benzonitrile (100-47-0)

Guidance literature:

Reference yield:

1,5-dichloro-3,3-dimethyl-pentane (62496-53-1) → cyano-(4,4-dimethyl-cyclohexyliden)-acetic acid ethyl ester (39858-62-3)

Guidance literature:

Multi-step reaction with 4 steps

2: concentrated H₂SO₄

3: aqueous Ba(OH)2-solution

4: piperidine

With piperidine; barium dihydroxide; sulfuric acid;

DOI:10.1021/ja01296a031

upstream raw materials:

ethene

2,2-dichloropropane

1-benzoyl-4,4-dimethyl-piperidine

phosphorus pentachloride

Downstream raw materials:

4,4-dimethylheptanedinitrile

4,4-dimethylpiperidine

(1-carboxy-4,4-dimethyl-cyclohexyl)-acetic acid

4,4-dimethyl-heptanedioic acid diethyl ester