Methyl (cyclopent-1-en-1-yl)acetate

Base Information

• Chemical Name: Methyl (cyclopent-1-en-1-yl)acetate
• CAS No.: 21622-07-1
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID90484057
• Nikkaji Number: J1.563.085J
• Wikidata: Q82322035
• Mol file: 21622-07-1.mol

Synonyms:21622-07-1;methyl 2-(cyclopent-1-en-1-yl)acetate;Methyl (cyclopent-1-en-1-yl)acetate;methyl 2-(cyclopenten-1-yl)acetate;SCHEMBL1691608;DTXSID90484057;PTVJOSBDUWCCNT-UHFFFAOYSA-N;cyclopentenylacetic acid methyl ester;InChI=1/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h4H,2-3,5-6H2,1H

Chemical Property of Methyl (cyclopent-1-en-1-yl)acetate

Chemical Property:

• PSA: 26.30000
• LogP: 1.65980
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CCCC1

Technology Process of Methyl (cyclopent-1-en-1-yl)acetate

There total 6 articles about Methyl (cyclopent-1-en-1-yl)acetate 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:

3,4,5,6-Tetrahydrophthalic anhydride (2426-02-0) → Cyclopentylideneacetic acid methyl ester (40203-73-4) + butatriene (2873-50-9) + ethene (74-85-1) + Cyclopentenyl-1-acetic acid methyl ester (21622-07-1) + cyclopentenylketene (96913-91-6) + acetone (67-64-1)

Guidance literature:

at 880 ℃; under 1E-05 Torr; Product distribution; flash vacuum pyrolysis;

DOI:10.1021/ja00214a034

Reference yield:

trimethyl phosphonoacetate (5927-18-4) + cyclopentanone (120-92-3) → Cyclopentylideneacetic acid methyl ester (40203-73-4) + Cyclopentenyl-1-acetic acid methyl ester (21622-07-1)

Guidance literature:

trimethyl phosphonoacetate; With sodium hydride; In methanol; for 0.666667h;

cyclopentanone; In methanol; at 20 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1002/ejoc.200500963

Reference yield:

methanol (67-56-1) + cyclopentenylketene (96913-91-6) → Cyclopentylideneacetic acid methyl ester (40203-73-4) + Cyclopentenyl-1-acetic acid methyl ester (21622-07-1)

Guidance literature:

at -196.1 ℃;

DOI:10.1021/ja00214a034

upstream raw materials:

methanol

5-cyclopentylidene-2,2-dimethyl-1,3-dioxane-4,6-dione

cyclopentenylketene

3,4,5,6-Tetrahydrophthalic anhydride

Downstream raw materials:

Cyclopentylideneacetic acid methyl ester

cis-3-Phenylcyclopentylacetic acid

cis-2-phenylcyclopentaneacetic acid

trans-2-phenylcyclopentaneacetic acid