3-Ethoxy-4-hydroxybenzonitrile

Base Information

• Chemical Name: 3-Ethoxy-4-hydroxybenzonitrile
• CAS No.: 60758-79-4
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID70396604
• Nikkaji Number: J3.222.013D
• Wikidata: Q82197401
• Mol file: 60758-79-4.mol

Synonyms:3-ethoxy-4-hydroxybenzonitrile;60758-79-4;4-Hydroxy-3-ethoxybenzonitrile;SCHEMBL6734969;DTXSID70396604;NBUPJWDUINJHFZ-UHFFFAOYSA-N;CS-Z0025;MFCD01123034;STK347884;AKOS000304393;CS-15002;FT-0715667;EN300-10778;A18974;C12960;Z56347599

Chemical Property of 3-Ethoxy-4-hydroxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.000529mmHg at 25°C
• Melting Point: 66 °C
• Boiling Point: 303.1°C at 760 mmHg
• PKA: 7.97±0.18(Predicted)
• Flash Point: 137.1°C
• PSA: 53.25000
• Density: 1.19g/cm³
• LogP: 1.66258
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

3-ethoxy-4-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C#N)O

Technology Process of 3-Ethoxy-4-hydroxybenzonitrile

There total 4 articles about 3-Ethoxy-4-hydroxybenzonitrile 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: 95.2%

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) → 3-ethoxy-4-hydroxybenzonitrile (60758-79-4)

Guidance literature:

With hydroxylamine hydrochloride; In acetonitrile; for 4h; Reflux;

Reference yield: 95.0%

→ 3-ethoxy-4-hydroxybenzonitrile (60758-79-4)

Guidance literature:

Reference yield: 79.0%

3-ethoxy-4-hydroxybenzaldoxime (34184-93-5) → 3-ethoxy-4-hydroxybenzonitrile (60758-79-4)

Guidance literature:

With (E)-ethyl 2-cyano-2-(2-nitrophenylsulfonyloxyimino)acetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.05.149

upstream raw materials:

4-acetoxy-3-ethoxy-benzonitrile

4-hydroxy-3-ethoxybenzaldehyde

3-ethoxy-4-hydroxybenzaldoxime

Downstream raw materials:

3-ethoxy-4-methoxybenzenecarbonitrile

1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethen-1-amine

(S)-2-[1 (3-ethoxy-4-methoxyphenyl)]-1-methanesulfonyl-2-ethylamine

(R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)-ethylamine