Methyl 2-cyclobutylacetate

Base Information

• Chemical Name: Methyl 2-cyclobutylacetate
• CAS No.: 72306-37-7
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID30500902
• Wikidata: Q82352917
• Mol file: 72306-37-7.mol

Synonyms:Methyl 2-cyclobutylacetate;72306-37-7;Cyclobutyl-acetic acid methyl ester;methyl cyclobutylacetate;CYCLOBUTYL-HYDROXYPHENYLACETIC ACID;SCHEMBL3631878;DTXSID30500902;SGXHANSUXZAOSN-UHFFFAOYSA-N;XCA30637;MFCD07776816;AKOS006284152;BS-42788;SY011890;5-SulfoisophthalicAcidDimethylEsterSodiumSalt;EN300-783067;J-522009

Chemical Property of Methyl 2-cyclobutylacetate

Chemical Property:

• Vapor Pressure: 2.63mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 158.4°C at 760 mmHg
• Flash Point: 42.3°C
• PSA: 26.30000
• Density: 0.997g/cm³
• LogP: 1.34960
• XLogP3: 1.7
• 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:

97% ^*data from raw suppliers

Cyclobutyl-acetic acid methyl ester 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1CCC1

Technology Process of Methyl 2-cyclobutylacetate

There total 2 articles about Methyl 2-cyclobutylacetate 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:

methanol (67-56-1) + 2-cyclobutylacetyl chloride (59543-38-3) → methyl cyclobutyl acetate (72306-37-7)

Guidance literature:

With pyridine; at 20 ℃;

Reference yield:

→ methyl cyclobutyl acetate (72306-37-7)

Guidance literature:

aus Cyclobutyl-diazomethyl-keton, Wolff-Umlagerung;

Reference yield: 29.0%

2-fluoro-5-chlorobenzamidine (674793-32-9) + methyl cyclobutyl acetate (72306-37-7) + formic acid ethyl ester (109-94-4) → 2-(5-chloro-2-fluoro)-5-cyclobutylpyrimidine-4-one (674793-63-6)

Guidance literature:

methyl cyclobutyl acetate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexanes; at -78 - 0 ℃; for 1.16667h;

2-fluoro-5-chlorobenzamidine; formic acid ethyl ester; In tetrahydrofuran; hexanes; at -10 - 20 ℃; Heating / reflux;

upstream raw materials:

methanol

2-cyclobutylacetyl chloride

Downstream raw materials:

2-(5-chloro-2-fluoro)-5-cyclobutylpyrimidine-4-one

Refernces

• 1、 -. "CARBOXAMIDE INHIBITORS OF TGFB". Page/Page column 27; 43; 44. . Retrieved 2010/11/24.