3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene

Base Information

• Chemical Name: 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene
• CAS No.: 6590-37-0
• Molecular Formula: C11H11Cl3
• Molecular Weight: 249.564
• NSC Number: 98341
• DSSTox Substance ID: DTXSID50294831
• Wikidata: Q82034379

Synonyms:6590-37-0;3,7,7-trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene;NSC98341;DTXSID50294831;NSC-98341

Chemical Property of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene

Chemical Property:

• Vapor Pressure: 0.00149mmHg at 25°C
• Boiling Point: 305.4°C at 760 mmHg
• Flash Point: 206.2°C
• Density: 1.33g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 247.992633
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C2=C1C(C2)(Cl)Cl)C)Cl)C

Technology Process of 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene

There total 2 articles about 3,7,7-Trichloro-2,4,5-trimethylbicyclo[4.2.0]octa-1,3,5-triene 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-Chlor-2,3,5,6-tetramethyl-benzotrichlorid (6590-41-6) → 3,7,7-Trichlor-2,4,5-trimethyl-bicyclo<4,2,0>octa-1,3,5-trien (6590-37-0)

Guidance literature:

at 175 ℃;

DOI:10.1021/jo01345a038

Reference yield:

1-chloro-2,3,5,6-tetramethylbenzene (2762-20-1) → 3,7,7-Trichlor-2,4,5-trimethyl-bicyclo<4,2,0>octa-1,3,5-trien (6590-37-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: 175 °C

With aluminium trichloride;

DOI:10.1021/jo01345a038

Reference yield:

3,7,7-Trichlor-2,4,5-trimethyl-bicyclo<4,2,0>octa-1,3,5-trien (6590-37-0) → 3-Chlor-2,4,5-trimethyl-bicyclo<4,2,0>octa-1,3,5-trien-7-on (6590-40-5)

Guidance literature:

With silver nitrate; In ethanol;

DOI:10.1021/jo01345a038

upstream raw materials:

4-Chlor-2,3,5,6-tetramethyl-benzotrichlorid

1-chloro-2,3,5,6-tetramethylbenzene

Downstream raw materials:

3-Chlor-2,4,5-trimethyl-bicyclo<4,2,0>octa-1,3,5-trien-7-on

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