7-Benzylcyclohepta-1,3,5-triene

Base Information

• Chemical Name: 7-Benzylcyclohepta-1,3,5-triene
• CAS No.: 51990-82-0
• Molecular Formula: C14H14
• Molecular Weight: 182.265
• DSSTox Substance ID: DTXSID70495383
• Mol file: 51990-82-0.mol

Synonyms:7-Benzylcyclohepta-1,3,5-triene;51990-82-0;DTXSID70495383

Chemical Property of 7-Benzylcyclohepta-1,3,5-triene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.109550447
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=CC(C=C1)CC2=CC=CC=C2

Technology Process of 7-Benzylcyclohepta-1,3,5-triene

There total 5 articles about 7-Benzylcyclohepta-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: 65.0%

tropylium tetrafluoroborate (27081-10-3) + benzyl chloride (100-44-7) → 7-benzylcycloheptatriene (51990-82-0)

Guidance literature:

benzyl chloride; With iodine; magnesium; In tetrahydrofuran; Inert atmosphere; Reflux;

tropylium tetrafluoroborate; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jacs.1c10038

Reference yield:

7-ethoxy-1,3,5-cycloheptatriene (1714-39-2) + phenylmagnesium bromide (1589-82-8) → 7-benzylcycloheptatriene (51990-82-0)

Guidance literature:

In diethyl ether;

Reference yield:

phenylmagnesium bromide (1589-82-8) + tropylium perchlorate (25230-72-2) → 7-benzylcycloheptatriene (51990-82-0)

Guidance literature:

In diethyl ether;

upstream raw materials:

7-ethoxy-1,3,5-cycloheptatriene

phenylmagnesium bromide

tropylium perchlorate

7-methoxy-1,3,5-cycloheptatriene

Downstream raw materials:

benzylcycloheptane

8-Phenylheptafulven