2,2-Dimethyl-1,3-dioxolan-4-yl 2-methylbenzoate

Base Information

• Chemical Name: 2,2-Dimethyl-1,3-dioxolan-4-yl 2-methylbenzoate
• CAS No.: 59953-77-4
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.268
• DSSTox Substance ID: DTXSID40496908
• Mol file: 59953-77-4.mol

Synonyms:59953-77-4;2,2-Dimethyl-1,3-dioxolan-4-yl 2-methylbenzoate;DTXSID40496908

Chemical Property of 2,2-Dimethyl-1,3-dioxolan-4-yl 2-methylbenzoate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)OC2COC(O2)(C)C

Technology Process of 2,2-Dimethyl-1,3-dioxolan-4-yl 2-methylbenzoate

There total 3 articles about 2,2-Dimethyl-1,3-dioxolan-4-yl 2-methylbenzoate 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: 44.0%

2,2-dimethyl-1,3-dioxolane (2916-31-6) + 2-Methylperbenzoic acid tert-butyl ester (22313-62-8) → 2-Methyl-benzoic acid 2,2-dimethyl-[1,3]dioxolan-4-yl ester (59953-77-4)

Guidance literature:

With copper(I) bromide; In benzene; for 24h; Heating;

DOI:10.1055/s-1987-27991

Reference yield:

ortho-toluoyl chloride (933-88-0) → 2-Methyl-benzoic acid 2,2-dimethyl-[1,3]dioxolan-4-yl ester (59953-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / pyridine / H₂O / 12 h / Ambient temperature

2: 44 percent / CuBr / benzene / 24 h / Heating

With pyridine; copper(I) bromide; In water; benzene;

DOI:10.1055/s-1987-27991

Reference yield:

→ 2-Methyl-benzoic acid 2,2-dimethyl-[1,3]dioxolan-4-yl ester (59953-77-4)

Guidance literature:

entspr. 1,3-Dioxolan, entspr. tert.-Butylperoxi-benzoat;

upstream raw materials:

2,2-dimethyl-1,3-dioxolane

2-Methylperbenzoic acid tert-butyl ester

ortho-toluoyl chloride