1-[3-[(2,6-Dichlorophenyl)methoxy]phenyl]ethanone

Base Information

• Chemical Name: 1-[3-[(2,6-Dichlorophenyl)methoxy]phenyl]ethanone
• CAS No.: 202144-69-2
• Molecular Formula: C15H12Cl2O2
• Molecular Weight: 295.16100
• DSSTox Substance ID: DTXSID70358949
• Wikidata: Q82139891

Synonyms:1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone;202144-69-2;Ethanone, 1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-;SCHEMBL1437471;DTXSID70358949;AKOS008403918;A1-05673

Chemical Property of 1-[3-[(2,6-Dichlorophenyl)methoxy]phenyl]ethanone

Chemical Property:

• PSA: 26.30000
• LogP: 4.77500
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 294.0214350
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

1-[3-[(2,6-Dichlorophenyl)methoxy]phenyl]ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)OCC2=C(C=CC=C2Cl)Cl

Technology Process of 1-[3-[(2,6-Dichlorophenyl)methoxy]phenyl]ethanone

There total 1 articles about 1-[3-[(2,6-Dichlorophenyl)methoxy]phenyl]ethanone 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:

2,6-dichlorobenzyl alcohol (15258-73-8) + 3-Hydroxyacetophenone (121-71-1) → 3-(2,6-dichlorobenzyloxy)acetophenone (202144-69-2)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

Reference yield:

3-(2,6-dichlorobenzyloxy)acetophenone (202144-69-2) + ethyl bromoacetate (105-36-2) → ethyl 4-(3-(2,6-dichlorobenzyloxy)phenyl)-4-oxobutanoate (1200397-33-6)

Guidance literature:

3-(2,6-dichlorobenzyloxy)acetophenone; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium hexamethyldisilazane; In tetrahydrofuran; at -65 ℃; for 0.166667h; Inert atmosphere;

ethyl bromoacetate; In tetrahydrofuran; at -65 - 20 ℃; for 4.16667h;

Reference yield:

3-(2,6-dichlorobenzyloxy)acetophenone (202144-69-2) → 4-(3-(2,6-dichlorobenzyloxy)phenyl)-4-oxobutanoic acid (1200397-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h / -65 °C / Inert atmosphere

1.2: 4.17 h / -65 - 20 °C

2.1: water; sodium hydroxide / ethanol / 3 h / 20 °C

2.2: pH 3.5 - 4

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; water; sodium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; ethanol;

upstream raw materials:

2,6-dichlorobenzyl alcohol

3-Hydroxyacetophenone

Downstream raw materials:

ethyl 4-(3-(2,6-dichlorobenzyloxy)phenyl)-4-oxobutanoate

4-(3-(2,6-dichlorobenzyloxy)phenyl)-4-oxobutanoic acid

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