1,3-Bis(chloromethyl)-2,5-dimethoxy-4,6-dimethylbenzene

Base Information

• Chemical Name: 1,3-Bis(chloromethyl)-2,5-dimethoxy-4,6-dimethylbenzene
• CAS No.: 15967-53-0
• Molecular Formula: C12H16Cl2O2
• Molecular Weight: 263.164
• DSSTox Substance ID: DTXSID80557209
• Wikidata: Q82439044
• Mol file: 15967-53-0.mol

Synonyms:15967-53-0;1,3-Bis(chloromethyl)-2,5-dimethoxy-4,6-dimethylbenzene;DTXSID80557209

Chemical Property of 1,3-Bis(chloromethyl)-2,5-dimethoxy-4,6-dimethylbenzene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 262.0527351
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OC)C)CCl)OC)CCl

Technology Process of 1,3-Bis(chloromethyl)-2,5-dimethoxy-4,6-dimethylbenzene

There total 4 articles about 1,3-Bis(chloromethyl)-2,5-dimethoxy-4,6-dimethylbenzene 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: 52.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-dimethyl-2,5-dimethoxybenzene (14538-50-2) → 3,5-dichloromethyl-2,6-dimethylhydroquinone dimethyl ether (15967-53-0)

Guidance literature:

With hydrogenchloride; for 24h; Heating;

DOI:10.1021/ja00049a032

Reference yield:

1,4-dihydroxy-2,6-dimethylbenzene (654-42-2) → 3,5-dichloromethyl-2,6-dimethylhydroquinone dimethyl ether (15967-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: 39 percent / cc HCl / H₂O / 60 °C

With hydrogenchloride; sodium hydroxide; In water;

DOI:10.1246/bcsj.61.3026

Reference yield:

3,5-dimethyl-4-aminophenol (3096-70-6) → 3,5-dichloromethyl-2,6-dimethylhydroquinone dimethyl ether (15967-53-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) FeCl₃, aq. HCl; 2.) Na₂S₂O₄

2: aq. NaOH

3: 39 percent / cc HCl / H₂O / 60 °C

With hydrogenchloride; sodium hydroxide; sodium dithionite; iron(III) chloride; In water;

DOI:10.1246/bcsj.61.3026

upstream raw materials:

formaldehyd

1,3-dimethyl-2,5-dimethoxybenzene

1,4-dihydroxy-2,6-dimethylbenzene

3,5-dimethyl-4-aminophenol

Downstream raw materials:

1,4-Dimethoxy-2,6-bis-[2-(2-methoxy-ethoxy)-ethoxymethyl]-3,5-dimethyl-benzene

2,6-bis(methoxymethyl)-3,5-dimethyl-1,4-benzoquinone

2,6-bis(chloromethyl)-3,5-dimethyl-1,4-benzoquinone

1,4-Dimethoxy-2,6-bis-(2-methoxy-ethoxymethyl)-3,5-dimethyl-benzene