6-Chloro-4-methylguaiacol

Base Information

• Chemical Name: 6-Chloro-4-methylguaiacol
• CAS No.: 18268-80-9
• Molecular Formula: C8H9ClO2
• Molecular Weight: 172.611
• DSSTox Substance ID: DTXSID40939608
• Nikkaji Number: J1.601.275K
• Wikidata: Q82916136

Synonyms:6-Chloro-4-methylguaiacol;18268-80-9;2-Chloro-6-methoxy-4-methylphenol;Phenol, 2-chloro-6-methoxy-4-methyl-;SCHEMBL11857409;DTXSID40939608;EN300-6812345

Chemical Property of 6-Chloro-4-methylguaiacol

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0291072
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Cl)O)OC

Technology Process of 6-Chloro-4-methylguaiacol

There total 1 articles about 6-Chloro-4-methylguaiacol 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: 17.0%

5-chlorovanillin (19463-48-0) → 2-chloro-6-methoxy-4-methylphenol (18268-80-9)

Guidance literature:

5-chlorovanillin; With hydrazine hydrate; In diethylene glycol; at 110 ℃; for 0.25h;

With potassium hydroxide; In diethylene glycol; at 150 ℃; for 2h;

DOI:10.1021/acs.jmedchem.9b00218

Reference yield: 90.0%

2-chloro-6-methoxy-4-methylphenol (18268-80-9) → 5-chlorovanillin (19463-48-0)

Guidance literature:

With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide; In ethylene glycol; at 80 ℃; for 6h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2013.12.077

Reference yield: 56.0%

N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) + 2-chloro-6-methoxy-4-methylphenol (18268-80-9) → trifluoromethanesulfonic acid 2-chloro-6-methoxy-4-methylphenyl ester

Guidance literature:

2-chloro-6-methoxy-4-methylphenol; With triethylamine; In dichloromethane; at 0 ℃; for 0.25h;

N,N-phenylbistrifluoromethane-sulfonimide; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/acs.jmedchem.9b00218

upstream raw materials:

5-chlorovanillin

Downstream raw materials:

5-chlorovanillin

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