3-(2-Chloroethyl)-1,2,4,5-tetramethylbenzene

Base Information

• Chemical Name: 3-(2-Chloroethyl)-1,2,4,5-tetramethylbenzene
• CAS No.: 7383-68-8
• Molecular Formula: C₁₂H₁₇Cl
• Molecular Weight: 196.72
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10695289
• Wikidata: Q82624432
• Mol file: 7383-68-8.mol

Synonyms:3-(2-CHLOROETHYL)-1,2,4,5-TETRAMETHYLBENZENE;7383-68-8;DTXSID10695289;AKOS006308450

Chemical Property of 3-(2-Chloroethyl)-1,2,4,5-tetramethylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.70150
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 196.1018782
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)CCCl)C)C

Technology Process of 3-(2-Chloroethyl)-1,2,4,5-tetramethylbenzene

There total 3 articles about 3-(2-Chloroethyl)-1,2,4,5-tetramethylbenzene 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:

β-(2,3,5,6-Tetramethylphenyl)-ethanol (19991-04-9) → β-(2,3,5,6-Tetramethylphenyl)-ethylchlorid (7383-68-8)

Guidance literature:

With thionyl chloride;

Reference yield:

(2,3,5,6-tetramethyl-phenyl)-acetic acid (37051-68-6) → β-(2,3,5,6-Tetramethylphenyl)-ethylchlorid (7383-68-8)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: LiAlH₄

3: SOCl₂

With lithium aluminium tetrahydride; thionyl chloride; sulfuric acid;

Reference yield:

(2,3,5,6-Tetramethyl-phenyl)-essigsaeureethylester (14611-45-1) → β-(2,3,5,6-Tetramethylphenyl)-ethylchlorid (7383-68-8)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: SOCl₂

With lithium aluminium tetrahydride; thionyl chloride;

upstream raw materials:

β-(2,3,5,6-Tetramethylphenyl)-ethanol

(2,3,5,6-tetramethyl-phenyl)-acetic acid

(2,3,5,6-Tetramethyl-phenyl)-essigsaeureethylester

Downstream raw materials:

β-(2,3,5,6-Tetramethylphenyl)-propionitril

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