1-(2-Chlorophenyl)propan-1-one

Base Information

• Chemical Name: 1-(2-Chlorophenyl)propan-1-one
• CAS No.: 6323-18-8
• Molecular Formula: C9H9 Cl O
• Molecular Weight: 168.623
• Hs Code.: 2914700090
• NSC Number: 32597
• UNII: W587F2R7NI
• DSSTox Substance ID: DTXSID60212607
• Wikidata: Q72457970
• Mol file: 6323-18-8.mol

Synonyms:1-(2-chlorophenyl)propan-1-one;6323-18-8;2'-Chloropropiophenone;1-Propanone, 1-(2-chlorophenyl)-;1-(2-Chloro-phenyl)-propan-1-one;o-chloropropiophenone;NSC 32597;W587F2R7NI;1-(2-Chlorophenyl)-1-propanone;MFCD07787256;NSC-32597;NSC32597;(chlorophenyl)propan-1-one;UNII-W587F2R7NI;SCHEMBL2837238;DTXSID60212607;BTSCBJDORATYKJ-UHFFFAOYSA-N;1-(2-Chlorophenyl)-propan-1-one;PROPIOPHENONE, 2'-CHLORO-;BCP07782;CS-B1195;AKOS010258803;SB38037;AM808063;DS-18132;SY031881;C3323;FT-0649552;2 inverted exclamation mark -Chloropropiophenone;A868202;J-508618

Chemical Property of 1-(2-Chlorophenyl)propan-1-one

Chemical Property:

• Refractive Index: 1.5320 to 1.5360
• Boiling Point: 115-116℃ (15 Torr)
• PSA: 17.07000
• Density: 1.128±0.06 g/cm3(Predicted)
• LogP: 2.93270
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Benzene, Chloroform, DMSO, Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Chlorophenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=CC=C1Cl

Technology Process of 1-(2-Chlorophenyl)propan-1-one

There total 10 articles about 1-(2-Chlorophenyl)propan-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%

2-chloro-α-ethylbenzyl alcohol (22869-35-8) → 2-chloropropiophenone (6323-18-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2007.01.010

Reference yield: 89.0%

2-Chlorobenzonitrile (873-32-5) + ethylmagnesium bromide (925-90-6) → 2-chloropropiophenone (6323-18-8)

Guidance literature:

2-Chlorobenzonitrile; ethylmagnesium bromide;

With water; Further stages.;

DOI:10.1016/j.tetlet.2007.08.082

Reference yield:

sesquiethylaluminum chloride dimer + o-chlorobenzoyl chloride (609-65-4) → 2-chloropropiophenone (6323-18-8)

Guidance literature:

With aluminium trichloride; at 40 ℃;

upstream raw materials:

2'-Aminopropiophenon

2-chloro-α-ethylbenzyl alcohol

ethylmagnesium iodide

2-Chlorobenzonitrile

Downstream raw materials:

2-chloro-α-ethylbenzyl alcohol

1-(o-chlorophenyl)-2-chloro-1-propanone

(S)-1-(2-chlorophenyl)propanol

1-(o-Chlorophenyl)-2,2-dibromo-1-propanol

Refernces

• 1、 Messali, Mouslim,Christiaens, Léon E.,Alshahateet, Solhe F.,Kooli, Fethi. "Synthesis of 4H-benzo[e]-1,2-selanazin-4-one derivatives: a new heterocyclic ring system". . p. 7448 - 7451. Retrieved 2008/03/13.
• 2、 Kalendra, Diane M.,Sickles, Barry R.. "Diminished reactivity of ortho-substituted phenacyl bromides toward nucleophilic displacement". . p. 1594 - 1596. Retrieved 2007/10/03.