1,2,3,4-Tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene

Base Information

• Chemical Name: 1,2,3,4-Tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene
• CAS No.: 1155-77-7
• Molecular Formula: C15H12 Cl4 O2
• Molecular Weight: 366.071
• NSC Number: 109905
• DSSTox Substance ID: DTXSID50329278
• Mol file: 1155-77-7.mol

Synonyms:1155-77-7;NSC 109905;1,2,3,4-Tetrachloro-7,7-dimethoxy-5-phenylbicyclo(2.2.1)hepta-2,5-diene;1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene;1,2,3,4-TETRACHLORO-7,7-DIMETHOXY-5-PHENYL-BICYCLO(2.2.1)HEPTA-2,5-DIENE;NSC109905;DTXSID50329278;AKOS024428663;NSC-109905

Chemical Property of 1,2,3,4-Tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene

Chemical Property:

• Vapor Pressure: 4.02E-06mmHg at 25°C
• Boiling Point: 396°C at 760 mmHg
• Flash Point: 132.9°C
• Density: 1.48g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 365.956190
• Heavy Atom Count: 21
• Complexity: 520

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1(C2(C=C(C1(C(=C2Cl)Cl)Cl)C3=CC=CC=C3)Cl)OC

Technology Process of 1,2,3,4-Tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene

There total 8 articles about 1,2,3,4-Tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene 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:

5,5-dimethoxy-1,2,3,4-tetrachlorocyclopentadiene (2207-27-4) → 1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene (1155-77-7)

Guidance literature:

Multi-step reaction with 2 steps

2: KOtBu / 2-methyl-propan-2-ol

With potassium tert-butylate; In tert-butyl alcohol;

DOI:10.1016/0040-4020(65)80025-4

Reference yield:

5-Phenyl-1,2,3,4-tetrachlor-6-brom-7,7-dimethoxy-norbornen-2 (1158-46-9) → 1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene (1155-77-7)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol;

DOI:10.1016/0040-4020(65)80025-4

Reference yield:

5-Phenyl-1,2,3,4-tetrachlor-5-brom-7,7-dimethoxy-norbornen-2 (1158-45-8) → 1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene (1155-77-7)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1016/0040-4020(65)80025-4

upstream raw materials:

5,5-dimethoxy-1,2,3,4-tetrachlorocyclopentadiene

phenylacetylene

5-Phenyl-1,2,3,4-tetrachlor-6-brom-7,7-dimethoxy-norbornen-2

5-Phenyl-1,2,3,4-tetrachlor-5-brom-7,7-dimethoxy-norbornen-2

Downstream raw materials:

1,1-dimethoxy-2-phenylcyclopropane

2-(4-chlorophenyl)cyclopropanone dimethyl acetal

1.1-Dimethoxy-2-(p-methoxyphenyl)-cyclopropan

1,1-Dimethoxy-2,2-diphenylcyclopropan

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