Ethyl 2,3-dimethoxybenzoate

Base Information

• Chemical Name: Ethyl 2,3-dimethoxybenzoate
• CAS No.: 91971-58-3
• Molecular Formula: C11H14O4
• Molecular Weight: 210.22600
• DSSTox Substance ID: DTXSID50542581
• Wikidata: Q82419297
• Mol file: 91971-58-3.mol

Synonyms:ethyl 2,3-dimethoxybenzoate;91971-58-3;Benzoic acid, 2,3-dimethoxy-, ethyl ester;2,3-Dimethoxy-benzoic acid ethyl ester;SCHEMBL7688461;DTXSID50542581;MFCD06204286;AKOS008947951;Z53836402

Chemical Property of Ethyl 2,3-dimethoxybenzoate

Chemical Property:

• PSA: 44.76000
• LogP: 1.88050
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

2,3-Dimethoxy-benzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=CC=C1)OC)OC

Technology Process of Ethyl 2,3-dimethoxybenzoate

There total 2 articles about Ethyl 2,3-dimethoxybenzoate 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:

ethanol (64-17-5) + 2,3-dimethoxybenzoic acid (1521-38-6) → ethyl 2,3-dimethoxy benzoate (91971-58-3)

Guidance literature:

With sulfuric acid; at 110 ℃;

DOI:10.1007/s12272-013-0214-3

Reference yield:

1,2-dimethoxybenzene (91-16-7) + chloroformic acid ethyl ester (541-41-3) → ethyl 2,3-dimethoxy benzoate (91971-58-3)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, RT, 3 h, 2.) THF, -78 deg C, 2 h;

DOI:10.1016/0040-4020(96)00604-7

Reference yield: 90.0%

ethyl 2,3-dimethoxy benzoate (91971-58-3) → ethyl 2-hydroxy-3-methoxybenzoate (35030-98-9)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 - 25 ℃;

DOI:10.3184/030823410X12708998015900

upstream raw materials:

1,2-dimethoxybenzene

chloroformic acid ethyl ester

ethanol

2,3-dimethoxybenzoic acid

Downstream raw materials:

2,3-dimethoxy-benzoic acid hydrazide

3-Phenyl-1-(2,3-dimethoxy-phenyl)-propandion-(1,3)

ethyl 5-bromo-2,3-dimethoxybenzoate

5-bromo-1-isopropenyl-2,3-dimethoxybenzene