Ethyl 3,5-dimethyl-4-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 3,5-dimethyl-4-hydroxybenzoate
• CAS No.: 61660-77-3
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID30388621
• Mol file: 61660-77-3.mol

Synonyms:Ethyl 3,5-dimethyl-4-hydroxybenzoate;ethyl 4-hydroxy-3,5-dimethylbenzoate;61660-77-3;SCHEMBL869061;NIOSH/DG8998500;DTXSID30388621;GWPIVLOGQNMUAJ-UHFFFAOYSA-N;AKOS006276540;LS-37219;DG89985000;Benzoic acid, 3,5-dimethyl-4-hydroxy-, ethyl ester

Chemical Property of Ethyl 3,5-dimethyl-4-hydroxybenzoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.18570
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

Ethyl3,5-dimethyl-4-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,5-dimethyl-4-hydroxybenzoate

There total 6 articles about Ethyl 3,5-dimethyl-4-hydroxybenzoate 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: 98.0%

ethanol (64-17-5) + 3,5-dimethyl-4-hydroxybenzoic acid (4919-37-3) → ethyl 4-hydroxy-3,5-dimethylbenzoate (61660-77-3)

Guidance literature:

With sulfuric acid; for 18h; Reflux;

DOI:10.1021/jacs.0c10007

Reference yield: 97.0%

→ ethyl 4-hydroxy-3,5-dimethylbenzoate (61660-77-3)

Guidance literature:

With thionyl chloride; at 20 ℃; for 16h; Cooling with ice;

Reference yield:

3,5-dimethyl-4-hydroxybenzoic acid (4919-37-3) → ethyl 4-hydroxy-3,5-dimethylbenzoate (61660-77-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOMe

2: (i) SOCl₂, (ii) /BRN= 1718733/, Py

3: H₂ / PtO₂

With hydrogen; sodium methylate; platinum(IV) oxide;

DOI:10.1021/jm50009a007

upstream raw materials:

4-Allyloxy-3,5-dimethyl-benzoesaeure-aethylester

2.6-dimethylphenol

3,5-dimethyl-4-hydroxybenzoic acid

4-(allyloxy)-3,5-dimethylbenzoic acid

Downstream raw materials:

ethyl 3-((2-(1H-benzo[d]imidazol-2-yl)hydrazinylidene)methyl)-4-hydroxy-5-methylbenzoate

ethyl 4-hydroxy-3,5-bis((2-(4-nitrophenyl)hydrazinylidene)methyl)benzoate

ethyl 4-hydroxy-3,5-bis((2-(pyridin-3-yl-carbonyl)hydrazinylidene)methyl)benzoate

ethyl 4-hydroxy-3,5-bis((2-(4-(aminosulfonyl)phenyl)hydrazinylidene)methyl)benzoate