Benzoic acid 2-acetoxyethyl ester

Base Information

• Chemical Name: Benzoic acid 2-acetoxyethyl ester
• CAS No.: 38353-69-4
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID90876377
• Nikkaji Number: J943.759B
• Wikidata: Q82857996
• Mol file: 38353-69-4.mol

Synonyms:38353-69-4;(2-acetyloxy)ethyl benzoate;2-(benzoyloxy)ethyl acetate;SCHEMBL3958327;DTXSID90876377;Benzoic acid 2-acetoxyethyl ester;BENZOIC ACID, 2-ACETYLOXY ET ESTER

Chemical Property of Benzoic acid 2-acetoxyethyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCCOC(=O)C1=CC=CC=C1

Technology Process of Benzoic acid 2-acetoxyethyl ester

There total 15 articles about Benzoic acid 2-acetoxyethyl ester 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: 100.0%

C9H10O3 (94-33-7) + acetic anhydride (108-24-7) → 2-(acetyloxy)ethyl benzoate (38353-69-4)

Guidance literature:

With pyridine; at 20 ℃; for 16h;

DOI:10.1016/j.tet.2007.03.145

Reference yield: 95.5%

2-methylene-1,3-dioxolane (4362-23-6) + benzoic acid (65-85-0,8013-63-6) → 2-(acetyloxy)ethyl benzoate (38353-69-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jo990227g

Reference yield: 60.0%

2-hydroxyethyl acetate (542-59-6) + benzoyl chloride (98-88-4) → 2-(acetyloxy)ethyl benzoate (38353-69-4)

Guidance literature:

With pyridine; at 100 ℃; for 0.166667h;

DOI:10.1002/prac.19953370114

upstream raw materials:

2-chloroethyl benzoate

ethylene glycol diacetate

benzoic acid

1,2-ethanediol, dibenzoate

Downstream raw materials:

1-Phenyl-2-methyl-1,2-bis-trimethylsilyloxy-ethen

Refernces

• 1、 Maeno, Zen,Yamada, Shota,Mitsudome, Takato,Mizugaki, Tomoo,Jitsukawa, Koichiro. "Effective management of polyethers through depolymerization to symmetric and unsymmetric glycol diesters using a proton-exchanged montmorillonite catalyst". supporting information. p. 2612 - 2619. Retrieved 2017/07/17.
• 2、 Borah, Ruli,Kalita, Dipok J.,Sarma, Jadab C.. "Microwave promoted selective preparation of acetals and esters from aldehydes". . p. 1032 - 1038. Retrieved 2007/10/03.