2'-Chloroacetophenone

Base Information

• Chemical Name: 2'-Chloroacetophenone
• CAS No.: 2142-68-9
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.596
• Hs Code.: 29147090
• European Community (EC) Number: 218-397-6
• NSC Number: 405474
• UNII: PP8Q8TNE2G
• DSSTox Substance ID: DTXSID1062201
• Nikkaji Number: J1.799J
• Wikidata: Q72516860
• ChEMBL ID: CHEMBL4633448
• Mol file: 2142-68-9.mol

Synonyms:2'-Chloroacetophenone;2142-68-9;1-(2-Chlorophenyl)ethanone;o-Chloroacetophenone;1-(2-Chlorophenyl)Ethan-1-One;Ethanone, 1-(2-chlorophenyl)-;Acetophenone, 2'-chloro-;1-(2-chloro-phenyl)-ethanone;o-Chloroacetophonone;Ethanone, 1-(chlorophenyl)-;AI3-15920;2-Chloro-1-acetylbenzene;NSC 405474;o-Chlorophenyl methyl ketone;2-Chlorophenyl methyl ketone;Methyl 2-chlorophenyl ketone;EINECS 218-397-6;NSC-405474;BRN 1858916;1-[2-chlorophenyl]ethanone;MFCD00000560;o-chlorobenzoyl group;2`-Chloroacetophenone;ortho-chloroacetophenone;2'-chloro acetophenone;2-chlorophenyl ethanone;2-Acetylphenyl chloride;2/'-Chloroacetophenone;ortho-chlorobenzoyl group;PP8Q8TNE2G;Epitope ID:140118;SCHEMBL55443;2'-Chloroacetophenone, 97%;CHEMBL4633448;DTXSID1062201;CHEBI:60718;ZDOYHCIRUPHUHN-UHFFFAOYSA-;NSC405474;STL299676;AKOS000118936;AC-7849;AM84749;CS-W010929;PS-5480;FT-0611899;EN300-19197;P20606;4-07-00-00638 (Beilstein Handbook Reference);A815336;W-107556;F0001-0766;Z104473116

Chemical Property of 2'-Chloroacetophenone

Chemical Property:

• Appearance/Colour: clear light yellow to amber liquid
• Melting Point: 52-56 °C
• Refractive Index: n20/D 1.544
• Boiling Point: 195.5 °C at 760 mmHg
• Flash Point: 89.6 °C
• PSA: 17.07000
• Density: 1.163 g/cm³
• LogP: 2.54260
• Storage Temp.: Refrigerator
• Sensitive.: Lachrymatory
• Solubility.: Chloroform, DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.0185425
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2''-Chloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T+
• Hazard Codes: Xn,Xi,T+
• Statements: 22-36/37-36/37/38-26
• Safety Statements: 26-36-37/39-45-36/37/39-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1Cl
• Uses: 2''-Chloroacetophenone (cas# 2142-68-9) is a compound useful in organic synthesis. 2′-Chloroacetophenone was employed as model substrate to investigate the enzymatic performance of Aspergillus terreus and Rhizopus oryzae in enantioselective bioreductions using glycerol as a co-solvent.

Technology Process of 2'-Chloroacetophenone

There total 66 articles about 2'-Chloroacetophenone 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%

2'-chloro-sec-phenethyl alcohol (13524-04-4) → 1-(2-chlorophenyl)ethanone (2142-68-9)

Guidance literature:

With dihydrogen peroxide; benzenesulfonic acid; potassium bromide; In dichloromethane; water; at 20 ℃; for 24h; Reagent/catalyst; Solvent;

DOI:10.1021/jo5008064

Reference yield: 95.3%

acetic anhydride (108-24-7) + chlorobenzene (108-90-7) → 1-(2-chlorophenyl)ethanone (2142-68-9)

Guidance literature:

With antimony(III) chloride; In dichloromethane; at 50 ℃; for 3h;

Reference yield: 95.0%

1-chloro-2-(prop-1-en-2-yl)benzene (3609-45-8) → 1-(2-chlorophenyl)ethanone (2142-68-9)

Guidance literature:

With trimethylsilylazide; tetrabutylammonium tetrafluoroborate; oxygen; In methanol; at 10 ℃; for 2h; Electrochemical reaction;

DOI:10.1021/acs.orglett.1c02991

upstream raw materials:

methyl magnesium iodide

2-Chlorobenzonitrile

Acetaldehyde oxime

2-chlorobenzenediazonium

Downstream raw materials:

(E)-1-(2-chlorophenyl)-3-(3,4-methylenedioxy-phenyl)prop-2-en-1-one

(E)-1-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

2-(2-chlorophenyl)-1-(2-pyridiyl)-2-propanol

Oxo-piperidin-1-yl-acetic acid [1-(2-chloro-phenyl)-eth-(E)-ylidene]-hydrazide

Refernces

• 1、 Liu, Chong,Han, Jinyu,Wang, Juan. "A simple, efficient and recyclable copper(II) acetylacetonate catalytic system for oxidation of sec-alcohols in ionic liquid". . p. 643 - 645. Retrieved 2007.
• 2、 Gunasekaran,Remya,Radhakrishnan,Karvembu. "Ruthenium(II) carbonyl complexes with N-[di(alkyl/aryl)carbamothioyl] benzamide derivatives and triphenylphosphine as effective catalysts for oxidation of alcohols". . p. 491 - 501. Retrieved 2011.
• 3、 Zhang, Yuecheng,Lü, Fenglian,Cao, Xiaohui,Zhao, Jiquan. "Deep eutectic solvent supported TEMPO for oxidation of alcohols". . p. 40161 - 40169. Retrieved 2014.
• 4、 Cheng et al.. "". . p. 1198. Retrieved 1971.
• 5、 Uraguchi, Daisuke,Kato, Kohsuke,Ooi, Takashi. "o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions". . p. 2778 - 2783. Retrieved 2021/03/14.
• 6、 Li, Huafeng,Ma, Pengtao,Niu, Jingyang,Song, Junpeng,Wang, Jingping,Wang, Yaqiong,Zhao, Xue,Zou, Yan. "Ru(iii) -based polyoxometalate tetramers as highly efficient heterogeneous catalysts for alcohol oxidation reactions at room temperature". . p. 12664 - 12673. Retrieved 2021/09/28.