Methanone, (5-bromo-2-thienyl)(4-methoxyphenyl)-

Base Information

• Chemical Name: Methanone, (5-bromo-2-thienyl)(4-methoxyphenyl)-
• CAS No.: 95184-61-5
• Molecular Formula: C12H9BrO2S
• Molecular Weight: 297.172
• NSC Number: 170819
• DSSTox Substance ID: DTXSID10305457
• Wikidata: Q82052098
• Mol file: 95184-61-5.mol

Synonyms:95184-61-5;Methanone, (5-bromo-2-thienyl)(4-methoxyphenyl)-;(5-bromothiophen-2-yl)-(4-methoxyphenyl)methanone;(5-BROMOTHIOPHEN-2-YL)(4-METHOXYPHENYL)METHANONE;NSC170819;SCHEMBL10600767;DTXSID10305457;KTBNPLQVESJLHN-UHFFFAOYSA-N;2-Bromo-5-(4-methoxybenzoyl)thiophene;NSC-170819;FT-0731886

Chemical Property of Methanone, (5-bromo-2-thienyl)(4-methoxyphenyl)-

Chemical Property:

• Boiling Point: 408.2±40.0 °C(Predicted)
• PSA: 54.54000
• Density: 1.506±0.06 g/cm3(Predicted)
• LogP: 3.75020
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.95066
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

(5-BROMOTHIOPHEN-2-YL)(4-METHOXYPHENYL)METHANONE 97% ^*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)C2=CC=C(S2)Br

Technology Process of Methanone, (5-bromo-2-thienyl)(4-methoxyphenyl)-

There total 4 articles about Methanone, (5-bromo-2-thienyl)(4-methoxyphenyl)- 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: 85.0%

5-bromo-2-thienylzinc bromide (151073-94-8) + 4-methoxy-benzoyl chloride (100-07-2) → (5-bromothiophen-2-yl)(4-methoxyphenyl)methanone (95184-61-5)

Guidance literature:

With copper(l) iodide; lithium chloride; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.12.024

Reference yield: 82.0%

2-bromothiophene (1003-09-4) + 4-methoxy-benzoyl chloride (100-07-2) → (5-bromothiophen-2-yl)(4-methoxyphenyl)methanone (95184-61-5)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2014.05.074

Reference yield:

C14H13BrO3S → (5-bromothiophen-2-yl)(4-methoxyphenyl)methanone (95184-61-5)

Guidance literature:

With tartaric acid; In water; N,N-dimethyl-formamide; at 60 ℃; for 4h;

DOI:10.1039/c2ob06714e

upstream raw materials:

2-bromothiophene

4-methoxy-benzoyl chloride

2-(4-methoxybenzoyl)thiophene

5-bromo-2-thienylzinc bromide

Downstream raw materials:

(5-bromo-[2]thienyl)-(4-hydroxy-phenyl)-ketone

(4-methoxyphenyl)-(5-(3-methoxyphenyl)sulfanylthiophen-2-yl)methanone

(5-(4-(hydroxymethyl)phenyl)thiophen-2-yl)-(3-methoxyphenyl)methanone

(5-(3-hydroxybenzenesulfonyl)-thiophen-2-yl)(4-hydroxyphenyl)methanone

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