4'-Chloropropiophenone

Base Information

• Chemical Name: 4'-Chloropropiophenone
• CAS No.: 6285-05-8
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.623
• Hs Code.: 29147000
• European Community (EC) Number: 228-511-6
• NSC Number: 5600
• UNII: 26AY8WJA1E
• DSSTox Substance ID: DTXSID1048203
• Nikkaji Number: J34.493A
• Wikidata: Q27254084
• ChEMBL ID: CHEMBL2251218
• Mol file: 6285-05-8.mol

Synonyms:4'-Chloropropiophenone;6285-05-8;1-(4-chlorophenyl)propan-1-one;p-Chloropropiophenone;4-Chloropropiophenone;1-Propanone, 1-(4-chlorophenyl)-;PROPIOPHENONE, 4'-CHLORO-;Ethyl p-chlorophenyl ketone;Propiophenone, p-chloro-;USAF EK-5296;Ethyl 4-chlorophenyl ketone;NSC 5600;26AY8WJA1E;DTXSID1048203;1-(4-Chlorophenyl)-1-propanone;NSC-5600;EINECS 228-511-6;MFCD00000626;BRN 1100638;AI3-23870;NSC5600;4`-Chloropropiophenone;4/'-Chloropropiophenone;4\'-Chloropropiophenone;UNII-26AY8WJA1E;WLN: GR DV2;4-Chlorophenyl Ethyl Ketone;4'-CHLOROPROPIOPHENON;SCHEMBL196299;4'-Chloropropiophenone, 98%;CHEMBL2251218;DTXCID9028178;1-(4-chloropenyl)propan-1-one;1-(4-chlorophenyl)propane-1-one;STR03376;1-(4-chloro-phenyl)-propan-1-one;Tox21_303381;STK397560;AKOS000120501;CS-W016035;NCGC00257311-01;SY002144;CAS-6285-05-8;LS-125094;BB 0221155;C1616;FT-0618257;EN300-20251;4 inverted exclamation marka-Chloropropiophenone;S12307;4 inverted exclamation mark -Chloropropiophenone;4-07-00-00683 (Beilstein Handbook Reference);W-104951;Q27254084;F0001-1697;Z104477486

Chemical Property of 4'-Chloropropiophenone

Chemical Property:

• Appearance/Colour: crystalline mass
• Melting Point: 34-37 °C
• Refractive Index: 1.5325-1.5345
• Boiling Point: 276.6 °C at 760 mmHg
• Flash Point: 123.5 °C
• PSA: 17.07000
• Density: 1.128 g/cm³
• LogP: 2.93270
• Storage Temp.: 0-10°C
• Water Solubility.: Insoluble
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

4'-Chloropropiophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)Cl
• Uses: 4-Chlorophenylacetone is a chemical raw material and pharmaceutical intermediate with important application value. It has very important applications in modern pharmaceutical, chemical and biological fields.

Technology Process of 4'-Chloropropiophenone

There total 57 articles about 4'-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%

1-allyl-4-chlorobenzene (1745-18-2) → 4'-chloropropiophenone (6285-05-8)

Guidance literature:

With tert.-butylhydroperoxide; palladium diacetate; toluene-4-sulfonic acid; In water; acetonitrile; at 20 ℃; for 6h; chemoselective reaction;

DOI:10.1039/c5ob00586h

Reference yield: 93.0%

p-chlorophenylvinylcarbinol (58824-54-7) → 4'-chloropropiophenone (6285-05-8)

Guidance literature:

With 2C₂₅H₂₈N₂OP^(1-)*2Cl^(1-)*2Ru⁽²⁺⁾; In tetrahydrofuran; at 80 ℃; for 4h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/om501073q

Reference yield: 90.0%

methanol (67-56-1) + 1-(p-chlorophenyl)ethyl alcohol (3391-10-4) → 4'-chloropropiophenone (6285-05-8)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; potassium hydroxide; In water; at 80 ℃; Schlenk technique; Inert atmosphere;

upstream raw materials:

propionaldehyde oxime

4-chlorophenyldiazonium salt

1-(p-chlorophenyl)-1-methoxyethene

propionyl chloride

Downstream raw materials:

1-(4-chlorophenyl)-1-(2-pyridyl)-1-propanol

2-(4-chloro-phenyl)-3,6-dimethyl-quinoline-4-carboxylic acid

2-ethyl-2-(4-chloro-phenyl)-[1,3]dithiolane

3-(4-chloro-phenyl)-hex-5-yn-3-ol

Refernces

• 1、 Luo, Nianhua,Zhong, Yuhong,Wen, Huiling,Shui, Hongling,Luo, Renshi. "Iridium Complexes as Efficient Catalysts for Construction of α-Substituted Ketones via Hydrogen Borrowing of Alcohols in Water". . p. 1355 - 1364. Retrieved 2021/03/03.
• 2、 Salokhe, Prabha R.,Salunkhe, Rajeshri S.. "Rhizopus arrhizus mediated SAR studies in chemoselective biotransformation of haloketones at ambient temperature". . . Retrieved 2021/09/13.