Ethyl cyclobutanecarboxylate

Base Information

• Chemical Name: Ethyl cyclobutanecarboxylate
• CAS No.: 14924-53-9
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 29162090
• European Community (EC) Number: 238-995-0
• NSC Number: 125691
• UNII: RV6X223365
• DSSTox Substance ID: DTXSID70164204
• Nikkaji Number: J191.532K
• Wikidata: Q72473980
• Mol file: 14924-53-9.mol

Synonyms:Ethyl cyclobutanecarboxylate;14924-53-9;Cyclobutanecarboxylic acid, ethyl ester;Cyclobutanecarboxylic acid ethyl ester;EINECS 238-995-0;NSC-125691;RV6X223365;AI3-37703;ethyl cyclobutanoate;ethyl cyclobutane carboxylate;SCHEMBL29427;ethyl 1-cyclobutanecarboxylate;UNII-RV6X223365;DTXSID70164204;Ethyl cyclobutanecarboxylate, 99%;CS-D1706;MFCD00001321;NSC125691;AKOS008948035;cyclobutane carboxylic acid ethyl ester;NSC 125691;PB40757;AS-30005;AM20070593;CYCLOBUTANE-CARBOXYLIC ACID ETHYLESTER;E0931;FT-0652342;EN300-130045;W-108089

Chemical Property of Ethyl cyclobutanecarboxylate

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 2.63mmHg at 25°C
• Melting Point: -48oC
• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 158.4 °C at 760 mmHg
• Flash Point: 43.2 °C
• PSA: 26.30000
• Density: 1.024 g/cm³
• LogP: 1.34960
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Ethyl cyclobutanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1CCC1
• Uses: Ethyl cyclobutanecarboxylate can be used in the synthesis of cyclobutylidenecyclopropane by a three-step sequence.

Technology Process of Ethyl cyclobutanecarboxylate

There total 14 articles about Ethyl cyclobutanecarboxylate 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: 76.0%

ethanol (64-17-5) + Cyclobutanecarboxylic acid (3721-95-7) → ethyl cyclobutylcarboxylate (14924-53-9)

Guidance literature:

With hydrogenchloride; Ambient temperature;

Reference yield: 76.0%

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) → ethyl cyclobutylcarboxylate (14924-53-9)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In 1,4-dioxane; ethanol; 1.) room temperature, 0.5 h, 2.) reflux, 40 h;

Reference yield: 73.0%

ethyl 5-bromovalerate (14660-52-7) → ethyl cyclobutylcarboxylate (14924-53-9)

Guidance literature:

With oxygen; tetraethylammonium perchlorate; In N,N-dimethyl-formamide; at 20 ℃; electroreduction at -1.1 V;

upstream raw materials:

ethanol

Cyclobutanecarboxylic acid

Cyclobutanecarbonyl chloride

(2-propenyl)propanedioic acid diethyl ester

Downstream raw materials:

cyclobutyldiphenylcarbinol

cyclobutanemethanol

1-cyclobutylethanone

ethyl 1-phenethylcyclobutanecarboxylate

Refernces

• 1、 Mathew, Felix,Myrboh, Bekington. "Favorski type rearrangement in the lead tetraacetate oxidation of cycloalkanones". . p. 1097 - 1101. Retrieved 1996.
• 2、 Chanda, Tanmoy,Chowdhury, Sushobhan,Anand, Namrata,Koley, Suvajit,Gupta, Ashutosh,Singh, Maya Shankar. "Synthesis of 3-hydroxyindanones via potassium salt of amino acid catalyzed regioselective intramolecular aldolization of ortho-diacylbenzenes". supporting information. p. 981 - 985. Retrieved 2015/03/04.
• 3、 -. "ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS". Page/Page column 56. . Retrieved 2013/12/03.