4-Methoxy-2,6-dimethylbenzenethiol

Base Information

• Chemical Name: 4-Methoxy-2,6-dimethylbenzenethiol
• CAS No.: 701-69-9
• Molecular Formula: C₉H₁₂OS
• Molecular Weight: 168.26
• DSSTox Substance ID: DTXSID401297307
• Nikkaji Number: J2.772.304G

Synonyms:4-methoxy-2,6-dimethylbenzenethiol;701-69-9;SCHEMBL1069353;DTXSID401297307

Chemical Property of 4-Methoxy-2,6-dimethylbenzenethiol

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.06088618
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1S)C)OC

Technology Process of 4-Methoxy-2,6-dimethylbenzenethiol

There total 2 articles about 4-Methoxy-2,6-dimethylbenzenethiol 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-2,6-dimethylbenzenesulfonyl chloride (55661-08-0) → 4-methoxy-2,6-dimethylbenzenethiol (701-69-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Heating / reflux;

Reference yield:

3,5-dimethylmethoxybenzene (874-63-5) → 4-methoxy-2,6-dimethylbenzenethiol (701-69-9)

Guidance literature:

Multistep reaction; (i) ClSO₃H, (ii) Zn, aq. H₂SO₄;

DOI:10.1016/S0040-4020(01)99193-8

Reference yield: 95.0%

4-methoxy-2,6-dimethylbenzenethiol (701-69-9) + (6R,7R)-3-Chloromethyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester (104146-10-3) → p-methoxybenzyl 3-(2,6-dimethyl-4-methoxyphenylthio)methyl-7-phenylacetamido-Δ3-cephem-4-carboxylate (214203-33-5)

Guidance literature:

With potassium hydrogencarbonate; In water; acetone;

DOI:10.1055/s-0029-1216972

upstream raw materials:

3,5-dimethylmethoxybenzene

4-methoxy-2,6-dimethylbenzenesulfonyl chloride

Downstream raw materials:

4-methoxy-2,6-dimethylphenyl methyl sulphide

4-nitrophenyl 2,6-dimethyl-4-methoxyphenyl sulfide

5-Methoxy-1,3-dimethyl-2-(4-nitro-benzenesulfonyl)-benzene

3,5-Dimethyl-4-methylmercapto-phenol

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