2-Chloro-1-(2,5-dimethoxyphenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,5-dimethoxyphenyl)ethanone
• CAS No.: 1204-22-4
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• Hs Code.: 2909499000
• NSC Number: 118988
• DSSTox Substance ID: DTXSID20297894
• Wikidata: Q72518610
• Mol file: 1204-22-4.mol

Synonyms:2-chloro-1-(2,5-dimethoxyphenyl)ethanone;1204-22-4;1-(2',5'-dimethoxyphenyl)-2-chloroethanone;2-Chloro-1-(2,5-dimethoxy-phenyl)-ethanone;NSC 118988;2-chloro-1-(2,5-dimethoxyphenyl)ethan-1-one;NSC118988;SCHEMBL7025214;DTXSID20297894;BBL011915;MFCD03701176;STK946265;AKOS000112387;NSC-118988;VS-03114;BB 0259310;CS-0208378;FT-0647984;EN300-09469;2-chloro-1-(2',5'-dimethoxyphenyl) ethanone;Z56346966

Chemical Property of 2-Chloro-1-(2,5-dimethoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000355mmHg at 25°C
• Melting Point: 88-90°C
• Refractive Index: 1.516
• Boiling Point: 318.7 °C at 760 mmHg
• Flash Point: 134.9 °C
• PSA: 35.53000
• Density: 1.19g/cm³
• LogP: 2.12530
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2’,5’-Dimethoxyphenyl)-2-chloroethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)C(=O)CCl
• Uses: 1-(2’,5’-Dimethoxyphenyl)-2-chloroethanone (cas# 1204-22-4) is a compound useful in organic synthesis.

Technology Process of 2-Chloro-1-(2,5-dimethoxyphenyl)ethanone

There total 4 articles about 2-Chloro-1-(2,5-dimethoxyphenyl)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: 95.0%

2',5'-dimethoxyacetophenone (1201-38-3) → 2-chloro-1-(2,5-dimethoxy-phenyl)-ethanone (1204-22-4)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In methanol; 1,2-dichloro-ethane; for 4h; Heating;

DOI:10.1055/s-1988-27633

Reference yield: 90.1%

chloroacetyl chloride (79-04-9) + 1,4-dimethoxybezene (150-78-7) → 2-chloro-1-(2,5-dimethoxy-phenyl)-ethanone (1204-22-4)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -20 - 20 ℃; for 24h;

DOI:10.1021/acs.jmedchem.1c01411

Reference yield:

chloroacetyl chloride (79-04-9) + 1,4-dimethoxybezene (150-78-7) → 2-chloro-1-(2,5-dimethoxy-phenyl)-ethanone (1204-22-4)

Guidance literature:

With carbon disulfide; aluminium trichloride;

upstream raw materials:

2',5'-dimethoxyacetophenone

chloroacetyl chloride

1,4-dimethoxybezene

Downstream raw materials:

2,5-dimethoxybenzoic acid

2-(2,5-dimethoxybenzoylmethylthio)-6-methylpyrimidin-4(1H)-one

α-chloro-2,5-dihydroxyacetophenone

5-methoxy-benzofuran-3-one

Refernces

• 1、 Chen, Zhe-Sheng,Li, Dahong,Qiu, Yangyi,Wu, Liang,Xu, Jinyi,Xu, Shengtao,Yang, Dong-Hua,Yao, Hong,Zhou, Manzhen. "Discovery of Novel Polycyclic Heterocyclic Derivatives from Evodiamine for the Potential Treatment of Triple-Negative Breast Cancer". supporting information. p. 17346 - 17365. Retrieved 2021/12/09.
• 2、 -. "Synthesis of midodrine HCI from a novel intermediate 1-(2′,5′-dimethoxyphenyl)-2-azidoethanone". . . Retrieved 2008/06/13.