(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl phenylacetate

Base Information

• Chemical Name: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl phenylacetate
• CAS No.: 111219-29-5
• Molecular Formula: C14H18O4
• Molecular Weight: 250.295
• DSSTox Substance ID: DTXSID80549866
• Mol file: 111219-29-5.mol

Synonyms:111219-29-5;(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl phenylacetate;DTXSID80549866

Chemical Property of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl phenylacetate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(O1)COC(=O)CC2=CC=CC=C2)C

Technology Process of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl phenylacetate

There total 3 articles about (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl phenylacetate 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: 81.0%

phenylacetyl chloride (103-80-0) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-phenylacetate (111219-29-5)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1039/C8CC07322H

Reference yield:

phenylacetic anhydride (1555-80-2) + (R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-phenylacetate (111219-29-5)

Guidance literature:

With pyridine; In benzene; at 20 ℃;

DOI:10.1016/j.tetasy.2004.12.021

Reference yield:

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol (100-79-8,36543-79-0) → (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-phenylacetate (111219-29-5)

Guidance literature:

With pyridine; at 20 ℃; for 24h;

DOI:10.1016/j.tetasy.2004.09.033

upstream raw materials:

phenylacetyl chloride

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

phenylacetic anhydride

Downstream raw materials:

(S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol

1,2-O-isopropylidene-D-glycerol