1,3-Dichloro-2,5-dimethoxybenzene

Base Information

• Chemical Name: 1,3-Dichloro-2,5-dimethoxybenzene
• CAS No.: 61887-07-8
• Molecular Formula: C8H8Cl2O2
• Molecular Weight: 207.056
• UNII: 691H45E38V
• DSSTox Substance ID: DTXSID50866890
• Nikkaji Number: J734.027C
• Wikidata: Q27264301
• Mol file: 61887-07-8.mol

Synonyms:1,3-Dichloro-2,5-dimethoxybenzene;61887-07-8;Benzene, 1,3-dichloro-2,5-dimethoxy-;UNII-691H45E38V;691H45E38V;SCHEMBL8430640;DTXSID50866890;2,6-dichloro-1,4-dimethoxybenzene;ZB1343;1,3-Dichloro-2,5-dimethoxy-benzene;Q27264301

Chemical Property of 1,3-Dichloro-2,5-dimethoxybenzene

Chemical Property:

• PSA: 18.46000
• LogP: 3.01060
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.9901349
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dichloro-2,5-dimethoxybenzene

There total 4 articles about 1,3-Dichloro-2,5-dimethoxybenzene 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: 60.0%

2,6-dichloro-1,4-benzenediol (20103-10-0) + dimethyl sulfate (77-78-1) → 2,6-dichloro-1,4-dimethoxybenzene (61887-07-8)

Guidance literature:

With potassium hydroxide; for 4h; Ambient temperature;

DOI:10.1021/jf00033a030

Reference yield: 48.0%

2,6-dichloro-1,4-benzenediol (20103-10-0) + methyl iodide (74-88-4) → 2,6-dichloro-1,4-dimethoxybenzene (61887-07-8)

Guidance literature:

With potassium carbonate; In acetone; for 16h; Reflux; Inert atmosphere;

DOI:10.3762/bjoc.9.311

Reference yield:

phosphorus pentachloride (10026-13-8,874483-75-7) + chlorine (7782-50-5) + 1,4-dimethoxybezene (150-78-7) → 1,4-dichloro-2,5-dimethoxybenzene (2675-77-6) + 2-chloro-1,4-dimethoxybenzene (2100-42-7) + 2,6-dichloro-1,4-dimethoxybenzene (61887-07-8)

Guidance literature:

at 180 - 190 ℃;

upstream raw materials:

2,6-dichloro-1,4-benzoquinone

2,6-dichloro-1,4-benzenediol

dimethyl sulfate

methyl iodide

Downstream raw materials:

2,4-dichloro-3,6-dimethoxynitrobenzene

3,5-dichloro-4-methoxy-2,6-dinitro-phenol

1,3-dichloro-2,5-dimethoxy-4,6-dinitro-benzene