2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone
• CAS No.: 6938-23-4
• Molecular Formula: C12H15ClO5
• Molecular Weight: 274.6975
• NSC Number: 53932
• DSSTox Substance ID: DTXSID40989163
• Wikidata: Q82978068

Synonyms:6938-23-4;NSC53932;DTXSID40989163;NSC-53932;2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethan-1-one

Chemical Property of 2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 1.74E-06mmHg at 25°C
• Boiling Point: 396.2°Cat760mmHg
• Flash Point: 160.5°C
• Density: 1.202g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 274.0608013
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1C(=O)CCl)OC)OC)OC

Technology Process of 2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone

There total 1 articles about 2-Chloro-1-(2,3,4,6-tetramethoxyphenyl)ethanone 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:

1,2,3,5-tetramethoxybenzene (5333-45-9) + chloroacetonitrile (107-14-2) → 2-chloro-1-(2,3,4,6-tetramethoxy-phenyl)-ethanone (6938-23-4) + chloro-acetic acid-(2,4,6-trimethoxy-phenyl ester) (7505-18-2)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; anschliessende Hydrolyse;

DOI:10.1021/jo01094a046

Reference yield:

2-chloro-1-(2,3,4,6-tetramethoxy-phenyl)-ethanone (6938-23-4) → 3-acetoxy-4,6,7-trimethoxy-benzofuran (7505-19-3)

Guidance literature:

Multi-step reaction with 3 steps

1: HBr; acetic acid

2: sodium acetate; ethanol

3: pyridine

With pyridine; ethanol; hydrogen bromide; sodium acetate; acetic acid;

DOI:10.1021/jo01094a046

Reference yield:

2-chloro-1-(2,3,4,6-tetramethoxy-phenyl)-ethanone (6938-23-4) → 2-chloro-1-(2-hydroxy-3,4,6-trimethoxy-phenyl)-ethanone (6938-21-2)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1021/jo01094a046

upstream raw materials:

1,2,3,5-tetramethoxybenzene

chloroacetonitrile

Downstream raw materials:

2-chloro-1-(2-hydroxy-3,4,6-trimethoxy-phenyl)-ethanone

3-acetoxy-4,6,7-trimethoxy-benzofuran

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