Diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate

Base Information

• Chemical Name: Diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate
• CAS No.: 53103-17-6
• Molecular Formula: C13H16O6
• Molecular Weight: 268.266
• DSSTox Substance ID: DTXSID40490567
• Wikidata: Q82334398
• Mol file: 53103-17-6.mol

Synonyms:53103-17-6;Diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate;Orcin-dicarbonsaure-diathylester;SCHEMBL11321147;DTXSID40490567

Chemical Property of Diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 268.09468823
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(C=C1C)O)C(=O)OCC)O

Technology Process of Diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate

There total 6 articles about Diethyl 2,4-dihydroxy-6-methylbenzene-1,3-dicarboxylate 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: 60.5%

Ethyl 2-butynoate (4341-76-8) + diethyl 1,3-acetonedicarboxylate (105-50-0) → 2,4-diethoxycarbonylorcinol (53103-17-6)

Guidance literature:

In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; mineral oil;

Reference yield: 17.6%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + diethyl acetonedicarboxylate-magnesium complex → ethyl 2-(2'-ethoxyoxoethyl)-4,6-dihydroxybenzoate (6121-80-8) + 2,4-diethoxycarbonylorcinol (53103-17-6)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 20h; Ambient temperature;

Reference yield: 9.5%

diethyl acetonedicarboxylate-magnesium complex → ethyl 2-(2'-ethoxyoxoethyl)-4,6-dihydroxybenzoate (6121-80-8) + 2,4-diethoxycarbonylorcinol (53103-17-6)

Guidance literature:

With 4-methyleneoxetan-2-one; In tetrahydrofuran; for 20h; Ambient temperature;

upstream raw materials:

4-methyleneoxetan-2-one

diethyl 1,3-acetonedicarboxylate

Ethyl 2-butynoate

Downstream raw materials:

orcinol

2-hydroxy-4-methoxy-6-methyl-isophthalic acid