1,3-Benzodioxole-5-carboxylic acid, 2-ethoxy-7-hydroxy-, methyl ester

Base Information

• Chemical Name: 1,3-Benzodioxole-5-carboxylic acid, 2-ethoxy-7-hydroxy-, methyl ester
• CAS No.: 526221-05-6
• Molecular Formula: C11H12O6
• Molecular Weight: 240.213
• DSSTox Substance ID: DTXSID70462691
• Mol file: 526221-05-6.mol

Synonyms:526221-05-6;Methyl 2-ethoxy-7-hydroxybenzo[d][1,3]dioxole-5-carboxylate;1,3-Benzodioxole-5-carboxylic acid, 2-ethoxy-7-hydroxy-, methyl ester;methyl 2-ethoxy-7-hydroxy-1,3-benzodioxole-5-carboxylate;SCHEMBL17714989;DTXSID70462691;Methyl2-ethoxy-7-hydroxybenzo[d][1,3]dioxole-5-carboxylate

Chemical Property of 1,3-Benzodioxole-5-carboxylic acid, 2-ethoxy-7-hydroxy-, methyl ester

Chemical Property:

• PSA: 74.22000
• LogP: 1.27010
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 240.06338810
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

Methyl2-ethoxy-7-hydroxybenzo[d][1,3]dioxole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1OC2=CC(=CC(=C2O1)O)C(=O)OC

Technology Process of 1,3-Benzodioxole-5-carboxylic acid, 2-ethoxy-7-hydroxy-, methyl ester

There total 2 articles about 1,3-Benzodioxole-5-carboxylic acid, 2-ethoxy-7-hydroxy-, methyl 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: 98.5%

methyl galloate (99-24-1) + orthoformic acid triethyl ester (122-51-0) → 2-ethoxy-7-hydroxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester (526221-05-6)

Guidance literature:

With Amberlyst 15E; In benzene; for 18h; Heating;

DOI:10.1016/j.tet.2004.11.083

Reference yield:

3,4,5-trihydroxybenzoic acid (149-91-7) → 2-ethoxy-7-hydroxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester (526221-05-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / sulfuric acid / 6 h / Heating

2: 98.5 percent / Amberlyst 15E / benzene / 18 h / Heating

With Amberlyst 15E; sulfuric acid; In benzene;

DOI:10.1016/j.tet.2004.11.083

Reference yield: 100.0%

benzyl chloride (100-44-7) + 2-ethoxy-7-hydroxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester (526221-05-6) → 7-benzyloxy-2-ethoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 12h;

DOI:10.1016/j.tet.2004.11.083

upstream raw materials:

methyl galloate

orthoformic acid triethyl ester

3,4,5-trihydroxybenzoic acid

Downstream raw materials:

2-ethoxy-7-[4'-(11'-hydroxyundecyloxy)benzyloxy]benzo[1,3]dioxole-5-carboxylic acid methyl ester

methyl 2-bromo-3-hydroxy-4,5-methylenedioxybenzoate

methyl 2-bromo-3,4-dihydroxy-5-benzyloxybenzoate

methyl-6-bromo-7-methoxybenzo [d] [1, 3] dioxole-5-carboxylate

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