1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one

Base Information

• Chemical Name: 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one
• CAS No.: 62581-82-2
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20380235
• Wikidata: Q72454170
• ChEMBL ID: CHEMBL1650253
• Mol file: 62581-82-2.mol

Synonyms:62581-82-2;1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one;1-(3-(chloromethyl)-4-methoxyphenyl)ethanone;1-[3-(chloromethyl)-4-methoxyphenyl]ethanone;3'-chloromethyl-4'-methoxyacetophenone;2-Methoxy-5-acetylbenzyl chloride;MFCD00045267;SCHEMBL1557718;CHEMBL1650253;DTXSID20380235;BNLRVFJSVGTTGG-UHFFFAOYSA-N;AMY39554;CL9679;AKOS001116902;AS-46455;SY106746;A8646;FT-0607110;1-(3-chloromethyl-4-methoxy-phenyl)-ethanone;EN300-11880;1-[3-(chloromethyl)-4-methoxy-phenyl]-ethanone;Z90124792;3 inverted exclamation mark -(Chloromethyl)-4 inverted exclamation mark -methoxyacetophenone

Chemical Property of 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Melting Point: 116 °C
• Refractive Index: 1.522
• Boiling Point: 330.8 °C at 760 mmHg
• Flash Point: 144.1 °C
• PSA: 26.30000
• Density: 1.15 g/cm³
• LogP: 2.63660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-34-20/22
• Safety Statements: 26-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC)CCl

Technology Process of 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one

There total 5 articles about 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one 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: 99.0%

Methoxyacetyl chloride (38870-89-2) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 1-[3-(chloromethyl)-4-methoxyphenyl]-1-ethanone (62581-82-2)

Guidance literature:

With aluminium trichloride; In nitromethane; Friedel-Crafts conditions; other solvent: carbon disulphide;

DOI:10.1016/S0040-4039(00)81809-2

Reference yield: 97.4%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 1-[3-(chloromethyl)-4-methoxyphenyl]-1-ethanone (62581-82-2)

Guidance literature:

With hydrogenchloride; water;

DOI:10.1002/chem.201201127

Reference yield: 92.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → 1-[3-(chloromethyl)-4-methoxyphenyl]-1-ethanone (62581-82-2)

Guidance literature:

With hydrogenchloride; formaldehyd; In water; at 60 ℃;

upstream raw materials:

diazomethane

1-(3-chloromethyl-4-hydroxyphenyl)ethanone

formaldehyd

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

O,O-dibutyl-S-(3-acetyl-6-methoxybenzyl)phosphorodithioate

1-(4-methoxy-3-(3-methyl-2-(pyridin-2-yl)benzyl)phenyl)ethanone

1-(3-(2-(4,5-dihydrooxazol-2-yl)-3-methylbenzyl)-4-methoxyphenyl)ethanone