[4-(1,2-Dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid

Base Information

• Chemical Name: [4-(1,2-Dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid
• CAS No.: 3415-67-6
• Molecular Formula: C₉H₁₂O₇S
• Molecular Weight: 264.256
• DSSTox Substance ID: DTXSID70863169
• Nikkaji Number: J248.044A
• Metabolomics Workbench ID: 37309
• ChEMBL ID: CHEMBL1567131
• Mol file: 3415-67-6.mol

Synonyms:MOPEG sulfate;3415-67-6;1,2-Ethanediol, 1-(3-methoxy-4-(sulfooxy)phenyl)-;1,2-Ethanediol, 1-[3-methoxy-4-(sulfooxy)phenyl]-;[4-(1,2-dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid;4-(1,2-DIHYDROXYETHYL)-2-METHOXY-1-SULFOOXY-BENZENE;MHPG sulfate;MOPEG sulphate;Lopac0_000626;C9H12O7S;SCHEMBL5941278;CHEMBL1567131;DTXSID70863169;CHEBI:137054;C9-H12-O7-S;3-Methoxy-4-hydroxyphenylglycol 4-sulfate;(3-methoxy-4-sulfooxyphenyl)ethylene glycol;3-Methoxy-4-hydroxyphenylglycol 4-sulphate;(3-Methoxy-4-hydroxyphenyl)glycol O-sulfate;(3-Methoxy-4-hydroxyphenyl)glycol O-sulphate;(3-Methoxy-4-hydroxyphenyl)glycol sulfate ester;(3-Methoxy-4-hydroxyphenyl)glycol sulphate ester;3-Methoxy-4-hydroxyphenylethyleneglycol sulphate;(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate;(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulphate

Chemical Property of [4-(1,2-Dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 121.67000
• Density: 1.572g/cm³
• LogP: 0.98330
• XLogP3: -0.6
• 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:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(CO)O)OS(=O)(=O)O

Technology Process of [4-(1,2-Dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid

There total 2 articles about [4-(1,2-Dihydroxyethyl)-2-methoxyphenyl]oxidanesulfonic acid 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:

<3-Methoxy-4-benzyloxy-phenyl>-glykoldiacetat (99730-49-1) → 4-hydroxy-3-methoxyphenylglycol sulfate (3415-67-6,74902-45-7,76410-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / methanol

2: (i) ClSO₃H, Py, CHCl₃, (ii) aq. KOH

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1002/hlca.19630460718

Reference yield:

1-(4-Hydroxy-3-methoxyphenyl)-1,2-diacetoxyethane (91471-11-3) → 4-hydroxy-3-methoxyphenylglycol sulfate (3415-67-6,74902-45-7,76410-53-2)

Guidance literature:

Multistep reaction; (i) ClSO₃H, Py, CHCl₃, (ii) aq. KOH;

DOI:10.1002/hlca.19630460718

Reference yield:

4-hydroxy-3-methoxyphenylglycol sulfate (3415-67-6,74902-45-7,76410-53-2) → 1-(4-hydroxy-3-methoxyphenyl)-1,2-ethanediol (534-82-7)

Guidance literature:

With arylsulfatase from Helix pomatia; In aq. acetate buffer; at 21 ℃; for 24h; pH=7; Enzymatic reaction;

DOI:10.1016/j.bmc.2019.01.031

upstream raw materials:

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

<3-Methoxy-4-benzyloxy-phenyl>-glykoldiacetat

Downstream raw materials:

1-(4-hydroxy-3-methoxyphenyl)-1,2-ethanediol