Ethyl 2,6-dihydroxy-4-methylbenzoate

Base Information

• Chemical Name: Ethyl 2,6-dihydroxy-4-methylbenzoate
• CAS No.: 90904-35-1
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.203
• European Community (EC) Number: 292-688-6
• UNII: U899LUR43X
• DSSTox Substance ID: DTXSID70920084
• Nikkaji Number: J317.587A
• Wikidata: Q82892740
• Mol file: 90904-35-1.mol

Synonyms:ETHYL 2,6-DIHYDROXY-4-METHYLBENZOATE;Ethyl 2,6-dihydroxy-p-toluate;90904-35-1;U899LUR43X;EINECS 292-688-6;UNII-U899LUR43X;Ethyl p-orsellinate;SCHEMBL9751189;DTXSID70920084;HEYUNNVBQQMDPI-UHFFFAOYSA-N;AKOS006272155;NS00066261;Benzoic acid, 2,6-dihydroxy-4-methyl-, ethyl ester

Chemical Property of Ethyl 2,6-dihydroxy-4-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Boiling Point: 293.1°Cat760mmHg
• Flash Point: 111.8°C
• PSA: 66.76000
• Density: 1.249g/cm³
• LogP: 1.58290
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1O)C)O

Technology Process of Ethyl 2,6-dihydroxy-4-methylbenzoate

There total 3 articles about Ethyl 2,6-dihydroxy-4-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:

ethyl acetoacetate (141-97-9) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → methyl α-methyl-γ-carboethoxy-γ-acetylbutyrate (74650-83-2) + ethyl 2,6-dihydroxy-4-methylbenzoate (90904-35-1)

Guidance literature:

With iron pentacarbonyl; bromine; at 130 ℃; for 4h;

DOI:10.1007/BF00948848

Reference yield:

1,2-Dibromopropane (78-75-1) + sodium ethyl acetylacetate enolate (1007476-32-5) → ethyl 2,6-dihydroxy-4-methylbenzoate (90904-35-1)

Guidance literature:

With ethanol; at 100 ℃; unter Druck; den waessrigen Auszug des Produktes mit Schwefelsaeure behandeln;

Reference yield:

ethyl iodide (75-03-6) → ethyl 2,6-dihydroxy-4-methylbenzoate (90904-35-1)

Guidance literature:

With benzene;

upstream raw materials:

1,2-Dibromopropane

sodium ethyl acetylacetate enolate

ethyl acetoacetate

methacrylic acid methyl ester

Downstream raw materials:

3,5-bis-benzoyloxy-toluene

orcinol

ethanol

carbon dioxide

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