1-(2-Chloro-4-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Chloro-4-methoxyphenyl)ethanone
• CAS No.: 41068-36-4
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2914700090
• European Community (EC) Number: 831-616-5
• Mol file: 41068-36-4.mol

Synonyms:1-(2-Chloro-4-methoxyphenyl)ethanone;41068-36-4;2'-Chloro-4'-methoxyacetophenone;1-(2-Chloro-4-methoxy-phenyl)-ethanone;1-(2-CHLORO-4-METHOXYPHENYL)ETHAN-1-ONE;SCHEMBL473972;CPHAKIQSOMATHD-UHFFFAOYSA-N;MFCD09027992;AKOS005216341;SB37096;AC-15471;DS-16055;CS-0186222;FT-0757117;EN300-57018;A923818

Chemical Property of 1-(2-Chloro-4-methoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00884mmHg at 25°C
• Melting Point: 26–27°C
• Boiling Point: 266oC at 760 mmHg
• Flash Point: 113oC
• PSA: 37.30000
• Density: 1.176g/cm3
• LogP: 2.24820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99%min ^*data from raw suppliers

1-(2-Chloro-4-methoxyphenyl)ethan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)OC)Cl
• Uses: 1-(2-Chloro-4-hydroxyphenyl)ethanone is used in preparation of aminopyrazine compounds as HPK1 inhibitor and the use thereofof aminopyrazine compounds as HPK1 inhibitor and the use thereof.

Technology Process of 1-(2-Chloro-4-methoxyphenyl)ethanone

There total 3 articles about 1-(2-Chloro-4-methoxyphenyl)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: 81.0%

1-chloro-3-methoxy-benzene (2845-89-8) + acetic anhydride (108-24-7) → 2-chloro-4-methoxyacetophenone (41068-36-4)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 2h; Ambient temperature;

DOI:10.1021/jm00171a031

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → 2-chloro-4-methoxyacetophenone (41068-36-4) + 1-(2,6-dichloro-4-methoxyphenyl)ethanone (157487-30-4)

Guidance literature:

With Oxone; ammonium chloride; In acetonitrile; at 20 ℃; for 24h;

Reference yield:

3-monochlorophenol (108-43-0) → 2-chloro-4-methoxyacetophenone (41068-36-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH

2: 48 percent / SmI₃ / acetonitrile / 4 h / 50 °C

With sodium hydroxide; samarium (III) iodide; In acetonitrile; 2: Friedel-Crafts acylation;

upstream raw materials:

1-chloro-3-methoxy-benzene

acetic anhydride

1-(4-methoxyphenyl)ethanone

3-monochlorophenol

Downstream raw materials:

C₂₅H₂₂ClNO₃

C₂₃H₁₈ClNO₃

5-(2-chloro-4-methoxyphenyl)-2,3-bis(4-methoxyphenyl)-1-propyl-1H-pyrrole

5-(2-chloro-4-methoxyphenyl)-2,3-bis(4-methoxyphenyl)-1-methyl-1H-pyrrole

Refernces

• 1、 Narender,Mohan, K.V.V. Krishna,Srinivasu,Kulkarni,Raghavan. "A simple, efficient and regioselective oxychlorination of aromatic compounds using ammonium chloride and oxone". . p. 1335 - 1338. Retrieved 2007/10/03.
• 2、 Yuldashev, Kh. Yu.. "ACYLATION OF CHLOROANISOLES". . p. 1610 - 1612. Retrieved 2007/10/02.