Methyl 2,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate

Base Information

• Chemical Name: Methyl 2,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate
• CAS No.: 71215-50-4
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.193
• DSSTox Substance ID: DTXSID40516039
• Mol file: 71215-50-4.mol

Synonyms:71215-50-4;DTXSID40516039;Methyl 2,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate

Chemical Property of Methyl 2,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate

Chemical Property:

• Boiling Point: 172.9±9.0 °C(Predicted)
• PSA: 26.30000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 1.37160
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C1C2(C)C(=O)OC

Technology Process of Methyl 2,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate

There total 10 articles about Methyl 2,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate 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:

1,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester (71215-52-6) → methyl 2,endo-5-dimethylbicyclo<2.1.0>pent-2-ene-exo-5-carboxylate (71215-50-4,71242-67-6) + methyl 1,endo-5-dimethylbicyclo<2.1.0>pent-2-ene-exo-5-carboxylate (71215-49-1,71242-66-5) + methyl 1,exo-5-dimethylbicyclo<2.1.0>pent-2-ene-endo-5-carboxylate (71215-49-1,71242-66-5)

Guidance literature:

In Dimethyl ether; at -50 ℃; for 3h; Yield given. Title compound not separated from byproducts; Irradiation;

Reference yield:

methyl 1,endo-5-dimethylbicyclo<2.1.0>pent-2-ene-exo-5-carboxylate (71215-49-1,71242-66-5) → 1,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester (71215-52-6) + methyl 2,endo-5-dimethylbicyclo<2.1.0>pent-2-ene-exo-5-carboxylate (71215-50-4,71242-67-6)

Guidance literature:

In tetrachloromethane; at 0 ℃; for 50h; Rate constant; Thermodynamic data; ΔG(excit.);

Reference yield:

methyl 1,exo-5-dimethylbicyclo<2.1.0>pent-2-ene-endo-5-carboxylate (71215-49-1,71242-66-5) → 2,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester (71242-68-7) + 1,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester (71215-52-6) + methyl 2,exo-5-dimethylbicyclo<2.1.0>pent-2-ene-endo-5-carboxylate (71215-50-4,71242-67-6)

Guidance literature:

In tetrachloromethane; at 0 ℃; for 87.9h; Rate constant; Thermodynamic data; ΔG(excit.);

upstream raw materials:

2,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester

1,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester

methyl 1,endo-5-dimethylbicyclo<2.1.0>pent-2-ene-exo-5-carboxylate

1,3-dimethyl-2-oxo-cyclopentanecarboxylic acid methyl ester

Downstream raw materials:

2,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester

1,5-Dimethyl-1,3-cyclopentadien-5-carbonsaeure-methylester

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