Ethyl 6-ethoxy-2-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 6-ethoxy-2-hydroxybenzoate
• CAS No.: 154364-61-1
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• European Community (EC) Number: 623-901-6
• DSSTox Substance ID: DTXSID70404935
• Wikidata: Q82209289
• Mol file: 154364-61-1.mol

Synonyms:Ethyl 6-ethoxy-2-hydroxybenzoate;154364-61-1;ethyl 2-ethoxy-6-hydroxybenzoate;ETHYL 6-ETHOXY-2-HYDROXYBENZOATE 95;SCHEMBL10066978;DTXSID70404935;Ethyl 6-ethoxy-2-hydroxybenzoate,95%;FT-0739956;ETHYL 6-ETHOXY-2-HYDROXYBENZOATE, 95%;J-009095

Chemical Property of Ethyl 6-ethoxy-2-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.000343mmHg at 25°C
• Melting Point: 60 °C(lit.)
• Refractive Index: 1.523
• Boiling Point: 309.8°C at 760 mmHg
• PKA: 9.59±0.10(Predicted)
• Flash Point: 115.7°C
• PSA: 55.76000
• Density: 1.15g/cm³
• LogP: 1.96760
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl 6-ethoxy-2-hydroxybenzoate 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1C(=O)OCC)O

Technology Process of Ethyl 6-ethoxy-2-hydroxybenzoate

There total 1 articles about Ethyl 6-ethoxy-2-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:

2-((E)-1-Phenoxy-but-2-enylidene)-malonic acid diethyl ester (154364-52-0) → ethyl 6-ethoxy-2-hydroxybenzoate (154364-61-1)

Guidance literature:

at 240 ℃;

DOI:10.1016/0040-4039(93)85071-4

Reference yield: 34.0%

triethylene glycol di-(p-toluenesulfonate) (19249-03-7) + ethyl 6-ethoxy-2-hydroxybenzoate (154364-61-1) → ethyl 2-ethoxy-6-[2-[2-[2-(3-ethoxy-2-ethoxycarbonylphenoxy)ethoxy]-ethoxy]ethoxy]benzoate

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 80 ℃; for 3h;

Reference yield:

ethyl 6-ethoxy-2-hydroxybenzoate (154364-61-1) → YF2 (1311423-89-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / ethanol / 2 h / Reflux

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 0 - 20 °C

3: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 24 h / 20 °C

With di-isopropyl azodicarboxylate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triphenylphosphine; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane;

upstream raw materials:

2-((E)-1-Phenoxy-but-2-enylidene)-malonic acid diethyl ester

Downstream raw materials:

N-[4-chloro-3-(trifluoromethyl) phenyl]-2-ethoxy-6-[2-(piperidin-1-yl)ethoxy]benzamide

N-[4-chloro-3-(trifluoromethyl)benzyl]-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(piperazin-1-yl)ethoxy]benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide

Refernces