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

Base Information

• Chemical Name: 2-Chloro-1-(4-methoxyphenyl)ethanone
• CAS No.: 2196-99-8
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 29147000
• European Community (EC) Number: 606-867-7
• NSC Number: 41670
• DSSTox Substance ID: DTXSID80862865
• Nikkaji Number: J883.591H
• Wikidata: Q72517406
• Mol file: 2196-99-8.mol

Synonyms:2196-99-8;2-chloro-1-(4-methoxyphenyl)ethanone;4-Methoxyphenacyl chloride;2-Chloro-4'-methoxyacetophenone;2-Chloro-1-(4-methoxy-phenyl)-ethanone;MFCD00216508;4'-METHOXY-2-CHLOROACETOPHENONE;2-chloro-1-(4-methoxyphenyl)ethan-1-one;ethanone, 2-chloro-1-(4-methoxyphenyl)-;2-Chloro-4'-methoxylphacetone;4-Methoxyphenacylchloride;4-(CHLOROACETYL)ANISOLE;NSC41670;p-Methoxyphenacyl chloride;2-chloro-4-methoxyacetophenone;SCHEMBL2314649;AMY3901;DTXSID80862865;alpha-Chloro-4'-methoxyacetophenone;CK1193;NSC 41670;NSC-41670;STL195583;AKOS000112361;CS-W016981;SB35482;2-chloro-1-(4-methoxyphenyl)-ethanone;4'-Methoxy-2-chloroacetophenone, 97%;CS-13026;A4707;BB 0254405;FT-0634111;M3268;EN300-07125;AQ-917/42754012;J-640236;Z56945957;F8889-9210

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

Chemical Property:

• Appearance/Colour: Pale yellow to beige crystalline powder
• Vapor Pressure: 0.000973mmHg at 25°C
• Melting Point: 98-100 °C
• Refractive Index: 1.523
• Boiling Point: 302.7 °C at 760 mmHg
• Flash Point: 134.2 °C
• PSA: 26.30000
• Density: 1.18 g/cm³
• LogP: 2.11670
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-1-(4-methoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)CCl

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

There total 51 articles about 2-Chloro-1-(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: 98.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → 2-chloro-1-(4-methoxyphenyl)ethanone (2196-99-8)

Guidance literature:

With hydrogenchloride; ammonium nitrate; iodine; oxygen; In water; acetonitrile; at 60 ℃; for 72h; Solvent; chemoselective reaction; Green chemistry; Large scale;

DOI:10.1002/adsc.201301012

Reference yield: 95.0%

4-(2-chloroethynyl)anisole (33491-06-4) → 2-chloro-1-(4-methoxyphenyl)ethanone (2196-99-8)

Guidance literature:

With tetrafluoroboric acid; water; In 2,2,2-trifluoroethanol; at 80 ℃; for 10h;

DOI:10.1016/j.tetlet.2016.09.088

Reference yield: 90.0%

2,2,2-trichloro-1-(4-methoxyphenyl)ethan-1-ol (14337-31-6) → 2-chloro-1-(4-methoxyphenyl)ethanone (2196-99-8)

Guidance literature:

With [2,2]bipyridinyl; copper(l) chloride; In 1,2-dichloro-ethane; for 3h; Heating;

DOI:10.1021/jo8007644

upstream raw materials:

diazomethane

p-hydroxyphenacyl chloride

4-methoxy-benzoyl chloride

methoxybenzene

Downstream raw materials:

1-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethanol

1,1-bis-(4-methoxyphenyl)ethylene

1,1,2,2-tetrakis(4-methoxyphenyl)ethane

1,1,1,2-tetrakis-(4-methoxy-phenyl)-ethane

Refernces

• 1、 Zhao, Haiyong,Pu, Xiaoqiu,Yang, Xianjin. "A Novel Method for Preparation of 2-Chloro Enesulfonamides". . p. 1417 - 142. Retrieved 2017.
• 2、 Elsberg, Josiah G. D.,Anderson, Stephen N.,Tierney, David L.,Reinheimer, Eric W.,Berreau, Lisa M.. "Tris-(2-pyridylmethyl)amine-ligated Cu(II) 1,3-diketonate complexes: Anaerobic retro-Claisen and dehalogenation reactivity of 2-chloro-1,3-diketonate derivatives". . p. 1712 - 1720. Retrieved 2021/02/22.