Ethyl 1-acetylcyclopentane-1-carboxylate

Base Information

• Chemical Name: Ethyl 1-acetylcyclopentane-1-carboxylate
• CAS No.: 28247-15-6
• Molecular Formula: C10H16O3
• Molecular Weight: 184.235
• Hs Code.: 2918300090
• European Community (EC) Number: 696-337-1
• DSSTox Substance ID: DTXSID60516495
• Nikkaji Number: J2.131.366A
• Wikidata: Q82377954
• Mol file: 28247-15-6.mol

Synonyms:ethyl 1-acetylcyclopentane-1-carboxylate;28247-15-6;MFCD07787011;ethyl1-acetylcyclopentane-1-carboxylate;SCHEMBL7102497;DTXSID60516495;POZMOHUCPZIZCS-UHFFFAOYSA-N;Ethyl1-acetylcyclopentanecarboxylate;Ethyl 1-acetylcyclopentanecarboxylate;AKOS016028523;GG-0704;CS-0320558;1-acetyl-1-cyclopentanecarboxylic acid ethyl ester

Chemical Property of Ethyl 1-acetylcyclopentane-1-carboxylate

Chemical Property:

• PSA: 43.37000
• LogP: 1.69890
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

ethyl1-acetylcyclopentane-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCC1)C(=O)C

Technology Process of Ethyl 1-acetylcyclopentane-1-carboxylate

There total 8 articles about Ethyl 1-acetylcyclopentane-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: 96.0%

1,4-dibromo-butane (110-52-1) + ethyl acetoacetate (141-97-9) → ethyl 1-acetylcyclopropane-1-carboxylate (28247-15-6)

Guidance literature:

With potassium carbonate; [bmim]BF₄; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2004.11.141

Reference yield: 30.0%

1,4-dibromo-butane (110-52-1) + ethyl acetoacetate (141-97-9) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + Butane-1,4-diol (110-63-4) + ethyl 1-acetylcyclopropane-1-carboxylate (28247-15-6)

Guidance literature:

With tetraethylammonium perchlorate; In N,N-dimethyl-formamide; electrolysis;

DOI:10.1246/cl.1987.2235

Reference yield:

ethyl 1-acetylcyclopent-3-ene-1-carboxylate (33626-80-1) → ethyl 1-acetylcyclopropane-1-carboxylate (28247-15-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 5h;

DOI:10.1016/j.tetasy.2015.09.007

upstream raw materials:

1,4-dibromo-butane

ethanol

sodium ethyl acetylacetate enolate

ethyl acetoacetate

Downstream raw materials:

1-[(E)-3-(2,4,5-Trimethoxy-phenyl)-acryloyl]-cyclopentanecarboxylic acid ethyl ester

1-[(E)-(3-Phenyl-acryloyl)]-cyclopentanecarboxylic acid ethyl ester

1-[(E)-3-(2,5-Dimethoxy-phenyl)-acryloyl]-cyclopentanecarboxylic acid ethyl ester

1-acetylcyclopentanecarbaldehyde