Ethyl 3-hydroxy-4-methoxybenzoate

Base Information

• Chemical Name: Ethyl 3-hydroxy-4-methoxybenzoate
• CAS No.: 148527-38-2
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80573161
• Nikkaji Number: J2.608.435K
• Wikidata: Q82461757
• Mol file: 148527-38-2.mol

Synonyms:ethyl 3-hydroxy-4-methoxybenzoate;148527-38-2;ethyl 3 - hydroxy - 4 - Methoxybenzoate;Benzoic acid, 3-hydroxy-4-methoxy-, ethyl ester;Ethyl3-hydroxy-4-methoxybenzoate;3-hydroxy-4-methoxybenzoic acid ethyl ester;SCHEMBL460455;DTXSID80573161;DCBPAZQCHKARFB-UHFFFAOYSA-N;ethyl-3-hydroxy-4-methoxybenzoate;YFA52738;AKOS006292741;BS-21496;3-hydroxy4-methoxybenzoic acid ethyl ester;CS-0447026;3-hydroxy-4-methoxy-benzoic acid ethyl ester

Chemical Property of Ethyl 3-hydroxy-4-methoxybenzoate

Chemical Property:

• PSA: 55.76000
• LogP: 1.57750
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99%,98%, ^*data from raw suppliers

Ethyl3-hydroxy-4-methoxybenzoate 95+% ^*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)OC)O

Technology Process of Ethyl 3-hydroxy-4-methoxybenzoate

There total 5 articles about Ethyl 3-hydroxy-4-methoxybenzoate 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: 95.0%

ethanol (64-17-5) + Isovanillic acid (645-08-9,74309-78-7) → ethyl 3-hydroxy-4-methoxybenzoate (148527-38-2)

Guidance literature:

With sulfuric acid; for 8h; Reflux;

DOI:10.1007/s10600-015-1369-6

Reference yield: 53.0%

Ethyl protocatechuate (3943-89-3) + methyl iodide (74-88-4) → ethyl 3-hydroxy-4-methoxybenzoate (148527-38-2)

Guidance literature:

Ethyl protocatechuate; With potassium carbonate; In N,N-dimethyl-formamide; for 0.25h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

Reference yield:

diethyl sulfate (64-67-5) + 3-hydroxy-4-methoxybenzoate → ethyl 3-hydroxy-4-methoxybenzoate (148527-38-2)

Guidance literature:

diethyl sulfate; 3-hydroxy-4-methoxybenzoate; With triethylamine; In tetrahydrofuran; at 20 - 60 ℃; for 1h;

With hydrogenchloride; water; In tetrahydrofuran; pH=7;

upstream raw materials:

ethanol

Isovanillic acid

isovanillin

diethyl sulfate

Downstream raw materials:

ethyl 3-(7-ethoxy-7-oxoheptyloxy)-4-methoxybenzoate

3-ethoxy-4-methoxybenzoic acid

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoic acid ethyl ester

N-[4-methyl-3-(4-methoxy-3-piperidin-4-yloxybenzamido)phenyl]-2-morpholinopyridine4-carboxamide