4'-Methyl-3-chloropropiophenone

Base Information

• Chemical Name: 4'-Methyl-3-chloropropiophenone
• CAS No.: 22422-21-5
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• Hs Code.: 2914700090
• European Community (EC) Number: 665-007-9
• NSC Number: 36075
• DSSTox Substance ID: DTXSID50284176
• Nikkaji Number: J964.381H
• Wikidata: Q72489396
• Mol file: 22422-21-5.mol

Synonyms:22422-21-5;4'-Methyl-3-chloropropiophenone;3-Chloro-4'-methylpropiophenone;3-chloro-1-(4-methylphenyl)propan-1-one;3-Chloro-1-(p-tolyl)propan-1-one;3-Chloro-1-p-tolylpropan-1-one;1-Propanone, 3-chloro-1-(4-methylphenyl)-;NSC36075;SCHEMBL2337097;DTXSID50284176;DAOWEVLVOUMCEY-UHFFFAOYSA-N;AM857;XAA42221;MFCD00028195;NSC-36075;STL133418;AKOS005744461;1-(3-chloropropionyl)-4-methylbenzene;CS-W017075;PS-11651;3-chloro-1-(4-methylphenyl)-1-propanone;FT-0638231;D77805;EN300-135177;A816188

Chemical Property of 4'-Methyl-3-chloropropiophenone

Chemical Property:

• Melting Point: 77-80 °C
• Boiling Point: 288.068 °C at 760 mmHg
• Flash Point: 146.33 °C
• PSA: 17.07000
• Density: 1.106 g/cm³
• LogP: 2.80660
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-1-(4-methylphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CCCl
• Uses: 3-chloro-1-(4-methylphenyl)propan-1-one is a reagent used in the synthesis of Mannich base-type derivatives which can be used in the treatment of chagas disease.

Technology Process of 4'-Methyl-3-chloropropiophenone

There total 3 articles about 4'-Methyl-3-chloropropiophenone 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%

toluene (108-88-3,15644-74-3,16713-13-6) + 2-chloropropionyl chloride (625-36-5) → 4'-methyl-3-chloropropiophenone (22422-21-5)

Guidance literature:

aluminium trichloride; nitromethane; In carbon disulfide; for 2h; Ambient temperature;

Reference yield: 17.0%

toluene (108-88-3,15644-74-3,16713-13-6) + 2-chloropropionyl chloride (625-36-5) → C10H11ClO (898785-08-5) + 4'-methyl-3-chloropropiophenone (22422-21-5)

Guidance literature:

With aluminum (III) chloride; In carbon disulfide; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1021/jo801568a

Reference yield:

→ 4'-methyl-3-chloropropiophenone (22422-21-5)

Guidance literature:

Toluol, 3-Chlorpropionylchlorid;

DOI:10.1016/0047-2670(79)85019-4

upstream raw materials:

toluene

2-chloropropionyl chloride

Downstream raw materials:

2-(3-oxo-3-(p-tolyl)propyl)isoindoline-1,3-dione

3-piperidin-1-yl-1-p-tolyl-propan-1-one

4-(p-tolyl)quinoline

3-chloro-1-(p-tolyl)propan-1-ol