3-Methoxy-4-hydroxyphenylglycol sulfate

Base Information

• Chemical Name: 3-Methoxy-4-hydroxyphenylglycol sulfate
• CAS No.: 71324-20-4
• Molecular Formula: C₉H₁₁O₇S*K
• Molecular Weight: 302.346
• DSSTox Substance ID: DTXSID70388786,DTXSID10951352
• Wikidata: Q27161837
• Metabolomics Workbench ID: 38292
• Mol file: 71324-20-4.mol

Synonyms:3-methoxy-4--hydroxyphenylethyleneglycol sulfate;3-methoxy-4-hydroxyphenylglycol sulfate;3-methoxy-4-hydroxyphenylglycol sulfate conjugate;4-hydroxy-3-methoxyphenylethylene glycol 4-sulfate;MHPG-SO4

Chemical Property of 3-Methoxy-4-hydroxyphenylglycol sulfate

Chemical Property:

• Melting Point: 155-160 °C (dec.)
• PSA: 124.50000
• Density: 1.574 g/cm3 。 用途 4-羟基-3-甲氧基苯基乙二醇-4-硫酸钾盐(71324-20-4)的用途：
• LogP: 0.64070
• Storage Temp.: 2-8°C
• Solubility.: H2O: 50 mg/mL
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 264.03037389
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

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

4-Hydroxy-3-methoxyphenylglycol sulfate potassium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(CO)OS(=O)(=O)O)O
• Uses: 4-Hydroxy-3-methoxyphenylglycol Sulfate Potassium Salt is a salt of 4-Hydroxy-3-methoxyphenylglycol Sulfate (3415-67-6) which is a catecholamine metabolite.

Technology Process of 3-Methoxy-4-hydroxyphenylglycol sulfate

There total 6 articles about 3-Methoxy-4-hydroxyphenylglycol sulfate 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:

Acetic acid 2-acetoxy-1-(3-methoxy-4-sulfooxy-phenyl)-ethyl ester; compound with pyridine → 1-(4-Hydroxy-3-methoxyphenyl)-1,2-ethanediol-4-sulfate potassium salt (71324-20-4)

Guidance literature:

With potassium hydroxide; In methanol; at 25 ℃; for 1h; Yield given;

DOI:10.1055/s-1984-30773

Reference yield:

1-(4-Hydroxy-3-methoxyphenyl)-1,2-diacetoxyethane (91471-11-3) → 1-(4-Hydroxy-3-methoxyphenyl)-1,2-ethanediol-4-sulfate potassium salt (71324-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) DMF, 2 h, 25 deg C, 2.) ether, 16 h, 5 deg C

2: KOH / methanol / 1 h / 25 °C

With potassium hydroxide; In methanol;

DOI:10.1055/s-1984-30773

Reference yield:

2-(2-Methoxy-4-oxiranyl-phenoxy)-tetrahydro-pyran (91471-09-9) → 1-(4-Hydroxy-3-methoxyphenyl)-1,2-ethanediol-4-sulfate potassium salt (71324-20-4)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. HCl / tetrahydrofuran / 0.67 h

2: 1.) 4-dimethylaminopyridine, 2.) 88percent aq. HCOOH / 1.) THF, 1 h, 25 deg C, 2.) 30 min

3: 1.) DMF, 2 h, 25 deg C, 2.) ether, 16 h, 5 deg C

4: KOH / methanol / 1 h / 25 °C

With hydrogenchloride; dmap; potassium hydroxide; formic acid; In tetrahydrofuran; methanol;

DOI:10.1055/s-1984-30773

upstream raw materials:

1-(4-Hydroxy-3-methoxyphenyl)-1,2-diacetoxyethane

2-(2-Methoxy-4-oxiranyl-phenoxy)-tetrahydro-pyran

3-methoxy-4-(tetrahydropyran-2-yloxy)benzaldehyde

1-<3-Methoxy-4-(2,3,5,6-tetrahydropyran-2-yloxy)-phenyl>-1,2-ethanediol

Refernces