4-(1-Hydroxyethyl)-2-methoxyphenol

Base Information

• Chemical Name: 4-(1-Hydroxyethyl)-2-methoxyphenol
• CAS No.: 2480-86-6
• Molecular Formula: C9H12 O3
• Molecular Weight: 168.192
• Hs Code.: 2909500000
• European Community (EC) Number: 626-302-8
• NSC Number: 47035
• DSSTox Substance ID: DTXSID40870961
• Nikkaji Number: J82.245K
• Wikidata: Q27159272
• Metabolomics Workbench ID: 67661
• Mol file: 2480-86-6.mol

Synonyms:apocynol

Chemical Property of 4-(1-Hydroxyethyl)-2-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.000464mmHg at 25°C
• Melting Point: 100-104 °C(lit.)
• Boiling Point: 301.5°Cat760mmHg
• PKA: 10.06±0.31(Predicted)
• Flash Point: 136.2°C
• PSA: 49.69000
• Density: 1.176g/cm³
• LogP: 1.45410
• Solubility.: soluble in Methanol
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-3-methoxy-α-methylbenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(1-Hydroxyethyl)-2-methoxyphenol

There total 18 articles about 4-(1-Hydroxyethyl)-2-methoxyphenol 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: 74.0%

1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → Apocynol (2480-86-6)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 3h; Ambient temperature;

DOI:10.1039/P29960001131

Reference yield: 63.0%

methylmagnesium bromide (75-16-1) + vanillin (121-33-5,8014-42-4) → Apocynol (2480-86-6)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol401065r

Reference yield: 43.0%

1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)ethanol (7382-68-5) → Apocynol (2480-86-6) + 2-methoxy-phenol (90-05-1) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) + phenol (108-95-2,27073-41-2)

Guidance literature:

With sodium hydroxide; nickel; at 25 ℃; Further Variations:; Temperatures; other substrates, other current densities; Product distribution; Electrochemical reaction;

DOI:10.1139/v00-009

upstream raw materials:

4-benzyloxy-3-methoxyacetophenone

methyl magnesium iodide

vanillin

1-(3-methoxy-4-hydroxyphenyl)ethanone

Downstream raw materials:

4-Hydroxy-3-methoxy-1-(1-methoxy-aethyl)-benzol

1-(3,4-dihydroxyphenyl)ethan-1-one

vanillin

3,4-dihydroxybenzaldehyde