2-Hydroxy-5-methoxybenzene-1-sulfonic acid

Base Information

• Chemical Name: 2-Hydroxy-5-methoxybenzene-1-sulfonic acid
• CAS No.: 79852-04-3
• Molecular Formula: C₇H₈O₅S
• Molecular Weight: 204.204
• DSSTox Substance ID: DTXSID60557287
• Nikkaji Number: J2.852.043C
• Wikidata: Q82439142

Synonyms:79852-04-3;SCHEMBL2336447;DTXSID60557287;2-Hydroxy-5-methoxybenzene-1-sulfonic acid

Chemical Property of 2-Hydroxy-5-methoxybenzene-1-sulfonic acid

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.00924453
• Heavy Atom Count: 13
• Complexity: 255

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-5-methoxybenzene-1-sulfonic acid

There total 3 articles about 2-Hydroxy-5-methoxybenzene-1-sulfonic 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:

4-methoxy-phenol (150-76-5) → 4-methoxyphenylsulfate monoester (3233-60-1) + 4-methoxyphenol-3-sulfonic acid (121000-02-0) + 2-hydroxy-5-methoxy-benzenesulfonic acid (79852-04-3)

Guidance literature:

With sulfur trioxide; In nitromethane-d3; at 0 ℃; for 0.2h; Product distribution; (with 0.9 equiv. SO₃); other time;

Reference yield:

4-methoxy-phenol (150-76-5) → 4-methoxyphenylsulfate monoester (3233-60-1) + 4-methoxyphenol-3-sulfonic acid (121000-02-0) + 2-hydroxy-5-methoxy-benzenesulfonic acid (79852-04-3) + 2-Methoxy-5-sulfooxy-benzenesulfonic acid

Guidance literature:

With sulfuric acid; In water; at 25 ℃; for 0.138889h; Product distribution; Rate constant; various times, concentrations;

Reference yield:

4-methoxy-phenol (150-76-5) → 5-Hydroxy-2-methoxy-benzene-1,3-disulfonic acid + 4-methoxyphenol-3-sulfonic acid (121000-02-0) + 2-hydroxy-5-methoxy-benzenesulfonic acid (79852-04-3) + 2-Hydroxy-5-methoxy-benzene-1,4-disulfonic acid + 2-Methoxy-5-sulfooxy-benzenesulfonic acid + 2-Hydroxy-5-methoxy-benzene-1,3-disulfonic acid

Guidance literature:

With sulfuric acid; In water; at 25 ℃; for 22.2222h; Product distribution; Rate constant; various times, concentrations;

upstream raw materials:

4-methoxy-phenol

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