3-Chloro-1-(4-ethoxyphenyl)propan-1-one

Base Information

• Chemical Name: 3-Chloro-1-(4-ethoxyphenyl)propan-1-one
• CAS No.: 100126-80-5
• Molecular Formula: C11H13ClO2
• Molecular Weight: 212.67300
• DSSTox Substance ID: DTXSID70568940
• Wikidata: Q82455493
• Mol file: 100126-80-5.mol

Synonyms:3-Chloro-1-(4-ethoxyphenyl)propan-1-one;100126-80-5;p-ethoxyphenyl chloroethyl ketone;DTXSID70568940

Chemical Property of 3-Chloro-1-(4-ethoxyphenyl)propan-1-one

Chemical Property:

• PSA: 26.30000
• LogP: 2.89690
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)CCCl

Technology Process of 3-Chloro-1-(4-ethoxyphenyl)propan-1-one

There total 2 articles about 3-Chloro-1-(4-ethoxyphenyl)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:

2-chloropropionyl chloride (625-36-5) + Phenetole (103-73-1) → p-ethoxyphenyl chloroethyl ketone (100126-80-5)

Guidance literature:

With aluminium trichloride; In carbon disulfide;

Reference yield:

chloropropionic acid (107-94-8) → p-ethoxyphenyl chloroethyl ketone (100126-80-5)

Guidance literature:

With phosphorus trichloride; Durch Behandeln des hergestellten Saeuerchlorids mit Phenetol und AlCl₃ in Schwefelkohlenstoff;

Reference yield: 67.0%

p-ethoxyphenyl chloroethyl ketone (100126-80-5) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) → p-ethoxyphenyl N-isatinoethyl ketone

Guidance literature:

indole-2,3-dione; With sodium ethanolate; In ethanol;

p-ethoxyphenyl chloroethyl ketone; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1023/B:RUJO.0000010180.04187.6a

upstream raw materials:

chloropropionic acid

2-chloropropionyl chloride

Phenetole

Downstream raw materials:

N⁴-<2-(4-Ethoxy-benzoyl)-ethyl>-N¹-butylcarbamoyl-sulfanilamid

2-[3-(4-ethoxy-phenyl)-3-oxo-propyl]-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one

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