Methyl cyclopent-2-ene-1-carboxylate

Base Information

• Chemical Name: Methyl cyclopent-2-ene-1-carboxylate
• CAS No.: 2258-56-2
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• European Community (EC) Number: 841-910-5
• DSSTox Substance ID: DTXSID70511572
• Nikkaji Number: J83.288J
• Mol file: 2258-56-2.mol

Synonyms:Methyl cyclopent-2-ene-1-carboxylate;2258-56-2;2-Cyclopentene-1-carboxylic acid methyl ester;2-Cyclopentene-1-carboxylic acid, methyl ester;SCHEMBL6641149;DTXSID70511572;Cyclopentene-3-carboxylic acid methyl ester;EN300-396593

Chemical Property of Methyl cyclopent-2-ene-1-carboxylate

Chemical Property:

• Boiling Point: 149.2±29.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.054±0.06 g/cm3(Predicted)
• LogP: 1.12560
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC=C1

Technology Process of Methyl cyclopent-2-ene-1-carboxylate

There total 1 articles about Methyl cyclopent-2-ene-1-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: 17.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + cyclopentene (142-29-0) → methyl cyclopentane carboxylate (4630-80-2) + methyl cyclopent-2-ene-1-carboxylate (2258-56-2) + (1R,3S)-dimethyl cyclopentane-1,3-dicarboxylate (39590-04-0,190137-08-7) + methyl cyclopent-3-ene-1-carboxylate (58101-60-3)

Guidance literature:

With methanesulfonic acid; oxygen; palladium diacetate; NPMoV; at 50 ℃; for 4h; under 760 Torr;

DOI:10.1021/jo0255779

Reference yield: 93.0%

methyl cyclopent-2-ene-1-carboxylate (2258-56-2) + phenylacetylene (536-74-3) → α,α-Bis(phenylethynyl)-2-cyclohexene-1-methanol (122278-04-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; 1.) -78 deg C, 15 min, 2.) -78 deg C, 1.5 h;

DOI:10.1021/jo00097a035

Reference yield: 92.0%

methyl cyclopent-2-ene-1-carboxylate (2258-56-2) → methyl 2,3-epoxycyclopentane-1-carboxylate (162086-60-4,170423-00-4,170423-01-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 15h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81204-7

upstream raw materials:

methanol

carbon monoxide

cyclopentene

Downstream raw materials:

3-hydroxymethyl-cyclopentene

methyl 2,3-epoxycyclopentane-1-carboxylate

α,α-Bis(phenylethynyl)-2-cyclohexene-1-methanol

methyl cis-2,3-epoxy-1-cyclopentancarboxylate