1-Phenylbicyclo[4.1.0]hept-2-ene

Base Information

• Chemical Name: 1-Phenylbicyclo[4.1.0]hept-2-ene
• CAS No.: 95054-37-8
• Molecular Formula: C13H14
• Molecular Weight: 170.254
• DSSTox Substance ID: DTXSID60537781
• Mol file: 95054-37-8.mol

Synonyms:1-Phenylbicyclo[4.1.0]hept-2-ene;95054-37-8;DTXSID60537781

Chemical Property of 1-Phenylbicyclo[4.1.0]hept-2-ene

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 170.109550447
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC2(C=C1)C3=CC=CC=C3

Technology Process of 1-Phenylbicyclo[4.1.0]hept-2-ene

There total 4 articles about 1-Phenylbicyclo[4.1.0]hept-2-ene 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: 64.0%

8-Methyl-3-phenyl-8-thionia-bicyclo[3.2.1]oct-2-ene; iodide (95054-33-4) → 1-phenylbicyclo<4.1.0>hept-2-ene (95054-37-8)

Guidance literature:

With methyllithium;

DOI:10.1016/0040-4039(84)80050-7

Reference yield: 48.0%

1-Phenyltricyclo<4.1.0.0.2,7>heptane (57293-39-7) → 1-phenylbicyclo<4.1.0>hept-2-ene (95054-37-8)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; for 6h;

Reference yield: 9.0%

6-Phenylbicyclo<3.2.0>heptan-6-ol (72657-59-1) + toluene-4-sulfonic acid (104-15-4) → biphenyl (92-52-4,1594-86-1) + 2-Phenylbenzaldehyde (1203-68-5) + 2-phenylcyclohepta-1,3-diene (57293-42-2) + 6-Phenylbicyclo<3.2.0>hept-6-en (57293-41-1) + 1-phenylbicyclo<4.1.0>hept-2-ene (95054-37-8) + 3-phenylcyclohept-3-en-1-ol (156451-84-2) + 3-phenylcyclohept-3-en-1-yl 4-methylbenzenesulfonate (156451-82-0) + 2-phenylcyclohepta-1,4-diene

Guidance literature:

In benzene; for 3h; Mechanism; Reflux;

DOI:10.1002/hlca.200890058

upstream raw materials:

1-Phenyltricyclo<4.1.0.0.^2,7>heptane

8-Methyl-3-phenyl-8-thionia-bicyclo[3.2.1]oct-2-ene; iodide

7,7-dibromo-1-phenylbicyclo<4.1.0>heptane

6-Phenylbicyclo<3.2.0>heptan-6-ol

Downstream raw materials:

2-methoxy-1-phenylbicyclo<4.1.0>heptane