4-Chloro-4'-ethylbutyrophenone

Base Information

• Chemical Name: 4-Chloro-4'-ethylbutyrophenone
• CAS No.: 71526-83-5
• Molecular Formula: C12H15 Cl O
• Molecular Weight: 210.704
• European Community (EC) Number: 275-597-6
• NSC Number: 163134
• DSSTox Substance ID: DTXSID90221767
• Nikkaji Number: J289.198K
• Wikidata: Q83099729
• Mol file: 71526-83-5.mol

Synonyms:71526-83-5;4-Chloro-4'-ethylbutyrophenone;4-CHLORO-1-(4-ETHYLPHENYL)-1-BUTANONE;EINECS 275-597-6;4-chloro-1-(4-ethylphenyl)butan-1-one;NSC163134;SCHEMBL3689140;DTXSID90221767;4'-Ethyl-gamma-chlorobutyrophenone;3-chloropropyl 4-ethylphenyl ketone;AKOS000346089;NSC 163134;NSC-163134

Chemical Property of 4-Chloro-4'-ethylbutyrophenone

Chemical Property:

• Boiling Point: 333.3oC at 760 mmHg
• Flash Point: 182.8oC
• PSA: 17.07000
• Density: 1.063g/cm3
• LogP: 3.45070
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 210.0811428
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

4-CHLORO-4'-ETHYLBUTYROPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)CCCCl

Technology Process of 4-Chloro-4'-ethylbutyrophenone

There total 2 articles about 4-Chloro-4'-ethylbutyrophenone 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: 81.0%

ethylbenzene (100-41-4,27536-89-6) + 4-Chlorobutanoyl chloride (4635-59-0) → 4-Chloro-1-(4-ethyl-phenyl)-butan-1-one (71526-83-5)

Guidance literature:

aluminium trichloride; In various solvent(s); at 40 - 50 ℃; for 0.5h;

DOI:10.1248/cpb.37.958

Reference yield:

→ 4-Chloro-1-(4-ethyl-phenyl)-butan-1-one (71526-83-5)

Guidance literature:

Reference yield: 82.5%

4-Chloro-1-(4-ethyl-phenyl)-butan-1-one (71526-83-5) → cyclopropyl 4-ethylphenyl ketone (50664-71-6)

Guidance literature:

With potassium hydroxide; In methanol; cooling to 20 deg C;

upstream raw materials:

ethylbenzene

4-Chlorobutanoyl chloride

Downstream raw materials:

7a-(4-ethyl-phenyl)-3-methyl-2-phenyl-hexahydro-pyrrolo[2,1-b]oxazole

9a-(4-ethyl-phenyl)-octahydro-pyrrolo[2,1-b][1,3]oxazepine

3-(4-Ethyl-phenyl)-1-phenyl-1,4,5,6-tetrahydro-pyridazine

1-methyl-5-[3-(4-ethylbenzoyl)propyl]thio-1,2,3,4-tetrazole

Refernces

• 1、 Komissarov,Valuev-Elliston,Ivanova,Kochetkov,Kritzyn. "The synthesis of ω-(2-aryl-1,3-dioxolan-2-yl)alkyl purine derivatives and their activity towards HIV reverse transcriptase". . p. 37 - 45. Retrieved 2015/02/05.
• 2、 -. "Intermediates useful for the preparation of antihistaminic piperidine derivatives". . . Retrieved 2008/06/13.