4-(2-Chloroethyl)-2,2-dimethyl-1,3-dioxolane

Base Information

• Chemical Name: 4-(2-Chloroethyl)-2,2-dimethyl-1,3-dioxolane
• CAS No.: 55559-76-7
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.63000
• DSSTox Substance ID: DTXSID00560331

Synonyms:4-(2-Chloroethyl)-2,2-dimethyl-1,3-dioxolane;55559-76-7;DTXSID00560331;AKOS006382814

Chemical Property of 4-(2-Chloroethyl)-2,2-dimethyl-1,3-dioxolane

Chemical Property:

• PSA: 18.46000
• LogP: 1.76680
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(OCC(O1)CCCl)C

Technology Process of 4-(2-Chloroethyl)-2,2-dimethyl-1,3-dioxolane

There total 1 articles about 4-(2-Chloroethyl)-2,2-dimethyl-1,3-dioxolane 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:

4-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolane (5754-34-7) + p-toluenesulfonyl chloride (98-59-9) → 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl 4-methylbenzenesulfonate (55559-75-6) + rac-4-(2-chloroethyl)-2,2-dimethyl-1,3-dioxolane (55559-76-7)

Guidance literature:

In pyridine; for 24h;

Reference yield: 72.0%

rac-4-(2-chloroethyl)-2,2-dimethyl-1,3-dioxolane (55559-76-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 3-(2-chloroethyl)-1,4-dioxaspiro[4.5]decane (180038-20-4)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; for 24h;

DOI:10.1016/0040-4020(96)00392-4

Reference yield: 44.0%

rac-4-(2-chloroethyl)-2,2-dimethyl-1,3-dioxolane (55559-76-7) + benzaldehyde (100-52-7) → 2,2-dimethyl-4-(3-hydroxy-3-phenylethyl)-1,3-dioxolane

Guidance literature:

With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

DOI:10.1016/0040-4020(96)00392-4

upstream raw materials:

4-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolane

p-toluenesulfonyl chloride

Downstream raw materials:

2,2-dimethyl-4-vinyl-1,3-dioxolane

3-(2-chloroethyl)-1,4-dioxaspiro[4.5]decane

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