5-Methoxyresorcinol

Base Information

• Chemical Name: 5-Methoxyresorcinol
• CAS No.: 2174-64-3
• Molecular Formula: C7H8O3
• Molecular Weight: 140.139
• Hs Code.: 2909500000
• European Community (EC) Number: 218-532-9
• UNII: 6201E0JIF3
• DSSTox Substance ID: DTXSID4046525
• Nikkaji Number: J7.348B
• Wikidata: Q27263412
• NCI Thesaurus Code: C65688
• ChEMBL ID: CHEMBL1738712
• Mol file: 2174-64-3.mol

Synonyms:3,5-dihydroxyanisole

Chemical Property of 5-Methoxyresorcinol

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Melting Point: 78-80 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 326.4 °C at 760 mmHg
• PKA: 9.07±0.10(Predicted)
• Flash Point: 122.5 °C
• PSA: 49.69000
• Density: 1.27 g/cm³
• LogP: 1.10640
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 95

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxyresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)O)O
• Uses: 5-Methoxyresorcinol was used in synthesis of isorobustin, substituted linear and angular benzofurocoumarins.

Technology Process of 5-Methoxyresorcinol

There total 42 articles about 5-Methoxyresorcinol 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%

4-methoxy-6-methyl-2H-pyran-2-one (672-89-9) → 5-methoxyresorcinol (2174-64-3)

Guidance literature:

With sodium methylate; In methanol; at 185 ℃; for 0.5h;

Reference yield: 89.0%

→ 3,5-dihydroxyphenol (108-73-6) + 5-methoxyresorcinol (2174-64-3)

Guidance literature:

Reference yield: 89.0%

methanol (67-56-1) + 3,5-dihydroxyphenol (108-73-6) → 5-methoxyresorcinol (2174-64-3)

Guidance literature:

In 1,4-dioxane; at 70 ℃; for 12h;

DOI:10.3987/COM-05-10451

upstream raw materials:

methanol

3,5-dihydroxyphenol

cotoin

dimethyl sulfate

Downstream raw materials:

3-ethoxy-5-methoxyphenol

bis(2,4-dihydroxy-6-methoxyphenyl)methane

4,2′,4′-trihydroxy-6′-methoxydihydrochalcone

C₆H₄(CH₂CH₂C(O)O)