1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone

Base Information

• Chemical Name: 1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone
• CAS No.: 170916-55-9
• Molecular Formula: C₁₅H₁₂Cl₂O₂
• Molecular Weight: 295.165
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20379341
• Wikidata: Q82169101
• Mol file: 170916-55-9.mol

Synonyms:170916-55-9;1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone;1-[4-(3,4-Dichlorobenzyloxy)phenyl]ethan-1-one;1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethanone;Ethanone, 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-;1-{4-[(3,4-Dichlorobenzyl)oxy]phenyl}-1-ethanone;1-{4-[(3,4-Dichlorobenzyl)oxy]phenyl}ethan-1-one;1-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethan-1-one;1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE;1-(4-((3,4-DICHLOROBENZYL)OXY)PHENYL)ETHAN-1-ONE;Maybridge1_002253;SCHEMBL540059;HMS547O09;DTXSID20379341;JS-072C;GEKQPJHLFWEGPX-UHFFFAOYSA-N;VGA91655;CCG-42114;MFCD00173669;AKOS005073054;4'-((3,4-dichlorobenzyl)oxy)acetophenone;CS-0060850;FT-0607177;1-(4-(3,4-dichlorobenzyloxy)phenyl)ethanone;W17415;1-[4-(3,4-dichloro-benzyloxy)-phenyl]-ethanone;A811261;SR-01000632140-1;W-206008;Ethanone,1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-

Chemical Property of 1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Melting Point: 83-85oC
• Boiling Point: 433.2oC at 760 mmHg
• Flash Point: 174.2oC
• PSA: 26.30000
• Density: 1.285g/cm3
• LogP: 4.77500
• Storage Temp.: 2-8°C
• 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: 301

Purity/Quality:

97% ^*data from raw suppliers

4'-[(3,4-Dichlorobenzyl)oxy]acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC(=C(C=C2)Cl)Cl

Technology Process of 1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone

There total 1 articles about 1-(4-((3,4-Dichlorobenzyl)oxy)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:

3,4-Dichlorophenylmethyl chloride (102-47-6) + 4-Hydroxyacetophenone (99-93-4) → BTB09463 (170916-55-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 - 65 ℃;

DOI:10.1021/acs.oprd.9b00499

Reference yield:

BTB09463 (170916-55-9) → (S)-2-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile

Guidance literature:

Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid; N-Bromosuccinimide / ethyl acetate / 20 - 30 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 10 - 15 °C

2.2: 20 h / 10 - 15 °C

3.1: (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; borane N,N-diethylaniline complex / toluene; tetrahydrofuran / -20 °C

4.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / diethylene glycol dimethyl ether / 20 °C

4.2: 225 °C / 38787.1 Torr / Flow reactor

With N-Bromosuccinimide; borane N,N-diethylaniline complex; potassium carbonate; toluene-4-sulfonic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; diethylene glycol dimethyl ether; ethyl acetate; N,N-dimethyl-formamide; toluene; 3.1: |Corey-Bakshi-Shibata Reduction;

DOI:10.1021/acs.oprd.9b00499

Reference yield:

BTB09463 (170916-55-9) → 3-(2-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2-oxoethoxy)-4-fluorobenzonitrile

Guidance literature:

Multi-step reaction with 2 steps

1.1: toluene-4-sulfonic acid; N-Bromosuccinimide / ethyl acetate / 20 - 30 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 10 - 15 °C

2.2: 20 h / 10 - 15 °C

With N-Bromosuccinimide; potassium carbonate; toluene-4-sulfonic acid; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1021/acs.oprd.9b00499

upstream raw materials:

3,4-Dichlorophenylmethyl chloride

4-Hydroxyacetophenone