1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)ethanone

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)ethanone
• CAS No.: 225222-73-1
• Molecular Formula: C15H13BrO2S
• Molecular Weight: 337.237
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10572642
• Nikkaji Number: J1.083.838J
• Wikidata: Q82461062
• Mol file: 225222-73-1.mol

Synonyms:225222-73-1;1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)ethanone;1-(4-BROMOPHENYL)-2-[(3-METHOXYPHENYL)THIO]-ETHANONE;2-(3-methoxyphenylthio)-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfanylethanone;Ethanone, 1-(4-bromophenyl)-2-[(3-methoxyphenyl)thio]-;SCHEMBL5045385;DTXSID10572642;DTRVNVMSPNNOMV-UHFFFAOYSA-N;MFCD12649872;AKOS009221638;AM81167;AS-42113;A878516;1-(4-bromo-phenyl)-2-(3-methoxy-phenylsulfanyl)-ethanone;1-(4-Bromophenyl)-2-[(3-methoxyphenyl)sulfanyl]ethan-1-one

Chemical Property of 1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)ethanone

Chemical Property:

• PSA: 51.60000
• LogP: 4.43270
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 335.98196
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC=C1)SCC(=O)C2=CC=C(C=C2)Br

Technology Process of 1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)ethanone

There total 1 articles about 1-(4-Bromophenyl)-2-((3-methoxyphenyl)thio)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: 89.0%

3-methoxybenzenethiol (15570-12-4) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 1-(4-bromophenyl)-2-(3-methoxyphenylsulfanyl)-ethanone (225222-73-1)

Guidance literature:

3-methoxybenzenethiol; With potassium hydroxide; In ethanol;

para-bromophenacyl bromide; In ethanol; ethyl acetate; at 20 ℃; Further stages.;

DOI:10.1021/jm070079j

Reference yield: 60.0%

1-(4-bromophenyl)-2-(3-methoxyphenylsulfanyl)-ethanone (225222-73-1) → 3-(4-bromo-phenyl)-6-methoxy-benzo[b]thiophene (192443-25-7)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 5 - 20 ℃;

DOI:10.1080/00397911.2019.1611856

Reference yield: 55.0%

1-(4-bromophenyl)-2-(3-methoxyphenylsulfanyl)-ethanone (225222-73-1) → [3,3'-bis-(4-bromophenyl)-6,6'-dimethoxy-2’]bis[benzo[b]thiophenyl]

Guidance literature:

With iron(III) chloride; In dichloromethane; at 5 - 20 ℃;

DOI:10.1080/00397911.2019.1611856

upstream raw materials:

3-methoxybenzenethiol

para-bromophenacyl bromide

Downstream raw materials:

3-(4-bromo-phenyl)-6-methoxy-benzo[b]thiophene

2-(4-bromo-phenyl)-6-methoxy-benzo[b]thiophene

6-methoxy-3-{4-[2-(1-piperidinyl)ethoxy]phenoxy}-2-(4-bromophenyl)benzo[b]thiophene

4'-Bromo-4'-desmethoxyarzoxifene