4-Chloro-2',4'-dimethoxybutyrophenone

Base Information

• Chemical Name: 4-Chloro-2',4'-dimethoxybutyrophenone
• CAS No.: 80269-97-2
• Molecular Formula: C12H15ClO3
• Molecular Weight: 242.702
• European Community (EC) Number: 279-432-9
• NSC Number: 163129
• UNII: 9KCD774M9V
• DSSTox Substance ID: DTXSID00230204
• Nikkaji Number: J320.249F
• Wikidata: Q83110636
• Mol file: 80269-97-2.mol

Synonyms:80269-97-2;4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one;4-Chloro-2',4'-dimethoxybutyrophenone;1-Butanone,4-chloro-1-(2,4-dimethoxyphenyl)-;EINECS 279-432-9;NSC-163129;4-Chloro-1-(2,4-dimethoxyphenyl)-1-butanone;NSC163129;9KCD774M9V;SCHEMBL6297419;DTXSID00230204;MFCD00018991;AKOS009158182;NSC 163129;3-Chloropropyl 2,4-dimethoxyphenyl ketone;Butyrophenone, 4-chloro-2',4'-dimethoxy-;FT-0626607;1-Butanone, 4-chloro-1-(2,4-dimethoxyphenyl)-

Chemical Property of 4-Chloro-2',4'-dimethoxybutyrophenone

Chemical Property:

• Vapor Pressure: 5.01E-06mmHg at 25°C
• Melting Point: 58 °C
• Refractive Index: 1.509
• Boiling Point: 381.6 °C at 760 mmHg
• Flash Point: 157.6 °C
• PSA: 35.53000
• Density: 1.137 g/cm³
• LogP: 2.90550
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 242.0709720
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

99%min ^*data from raw suppliers

4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)CCCCl)OC

Technology Process of 4-Chloro-2',4'-dimethoxybutyrophenone

There total 1 articles about 4-Chloro-2',4'-dimethoxybutyrophenone 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:

→ 4-chloro-2',4'-dimethoxybutyrophenone (80269-97-2)

Guidance literature:

4-Chlor-buttersaeure-( 2,4-dimethoxy-phenylester), AlCl3, Nitrobenzol;

Reference yield:

dimethyl sulfoxide (67-68-5,8070-53-9) + 4-chloro-2',4'-dimethoxybutyrophenone (80269-97-2) → 1-Cyclopropyl-1-(2,4-dimethoxy-phenyl)-2-methanesulfinyl-ethanol

Guidance literature:

With water; sodium hydride; Yield given. Multistep reaction; 1.) 70-75 deg C, 45 min, 2.) DMSO;

DOI:10.1055/s-1981-29616

Reference yield:

(phenylsulfanylmethyl)trimethylsilane (17873-08-4) + 4-chloro-2',4'-dimethoxybutyrophenone (80269-97-2) → 1-((Z)-1-Cyclopropyl-2-phenylsulfanyl-vinyl)-2,4-dimethoxy-benzene + 1-((E)-1-Cyclopropyl-2-phenylsulfanyl-vinyl)-2,4-dimethoxy-benzene

Guidance literature:

With lithium diisopropyl amide; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, from -78 deg C to RT, 2.) THF, RT;

DOI:10.1080/00397919408010242