Benzyl 2-cyclopropylacetate

Base Information

• Chemical Name: Benzyl 2-cyclopropylacetate
• CAS No.: 59698-18-9
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80454244
• Nikkaji Number: J1.220.484A
• Mol file: 59698-18-9.mol

Synonyms:Benzyl 2-cyclopropylacetate;59698-18-9;Phenylmethyl Cyclopropylacetate;Benzyl2-cyclopropylacetate;SCHEMBL4143101;DTXSID80454244;VKLVFPVAJRYENM-UHFFFAOYSA-N;Cyclopropaneacetic acid benzyl ester;MFCD11976040;BS-29234;FT-0757648;W11717

Chemical Property of Benzyl 2-cyclopropylacetate

Chemical Property:

• Boiling Point: 270.0±9.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.109±0.06 g/cm3(Predicted)
• LogP: 2.52990
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

benzyl2-cyclopropylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CC(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 2-cyclopropylacetate

There total 5 articles about Benzyl 2-cyclopropylacetate 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: 99.0%

benzyl 5-iodopent-2-enoate → benzyl 2-cyclopropylacetate (59698-18-9)

Guidance literature:

With samarium diiodide; tert-butyl alcohol; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0040-4039(99)01816-X

Reference yield: 99.0%

benzyl (E)-5-bromo-2-pentenoate (132640-88-1) → benzyl 2-cyclopropylacetate (59698-18-9)

Guidance literature:

With samarium diiodide; tert-butyl alcohol; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0040-4039(99)01816-X

Reference yield: 89.0%

cyclopropylacetic acid (5239-82-7) + benzyl bromide (100-39-0) → benzyl 2-cyclopropylacetate (59698-18-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

benzyl (E)-5-bromo-2-pentenoate

acetone

cyclopropylacetic acid

benzyl bromide

Downstream raw materials:

benzyl 2-cyclopropyl-3-oxobutanoate

Refernces

• 1、 -. "COMPOUNDS THAT INHIBIT MCL-1 PROTEIN". Page/Page column 1627; 1628. . Retrieved 2017/09/15.
• 2、 -. "CALCILYTIC COMPOUNDS". Page/Page column 118. . Retrieved 2008/06/13.