2-Chloro-3,5-dimethoxyphenol

Base Information

• Chemical Name: 2-Chloro-3,5-dimethoxyphenol
• CAS No.: 18113-21-8
• Molecular Formula: C8H9ClO3
• Molecular Weight: 188.611
• DSSTox Substance ID: DTXSID30537273
• Wikidata: Q82412223
• Mol file: 18113-21-8.mol

Synonyms:2-Chloro-3,5-dimethoxyphenol;18113-21-8;Phenol, 2-chloro-3,5-dimethoxy-;MFCD02114288;SCHEMBL10885926;DTXSID30537273;ZB0577;AKOS022642933;AS-60612;SY126455;W13153;EN300-1615101

Chemical Property of 2-Chloro-3,5-dimethoxyphenol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0240218
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3,5-dimethoxyphenol

There total 4 articles about 2-Chloro-3,5-dimethoxyphenol 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: 55.0%

3,5-dimethoxyphenol (500-99-2) → 4-chloro-3,5-dimethoxyphenol (18113-24-1) + chloroglucinol dimethyl ether (18113-21-8)

Guidance literature:

With chloro-trimethyl-silane; ethylphenylsulfoxide; In dichloromethane; at 25 ℃; for 0.333333h;

DOI:10.1002/adsc.201901492

Reference yield:

3,5-dimethoxyphenol (500-99-2) → chloroglucinol dimethyl ether (18113-21-8)

Guidance literature:

With sulfuryl dichloride; In chloroform;

DOI:10.1021/ja01057a038

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) → chloroglucinol dimethyl ether (18113-21-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH, EtSH / dimethylformamide

2: SO₂Cl₂

With sulfuryl dichloride; sodium hydride; ethanethiol; In N,N-dimethyl-formamide;

upstream raw materials:

3,5-dimethoxyphenol

1,2,3-trimethoxybenzene

Downstream raw materials:

1-<2-Chlor-3.5-dimethoxy-phenoxy>-4-benzyloxy-cyclohexan-carbonsaeure-(1)

1-<2-Chlor-3.5-dimethoxy-phenoxy>-cyclohexan-carbonsaeure-(1)

2-(2-Chloro-3,5-dimethoxy-phenoxy)-4-methoxy-6-methyl-benzoic acid

4-Hydroxy-1-<2-chlor-3.5-dimethoxy-phenoxy>-cyclohexan-carbonsaeure-(1)

Refernces