2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone

Base Information

• Chemical Name: 2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone
• CAS No.: 128746-80-5
• Molecular Formula: C12H9BrOS
• Molecular Weight: 281.17
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70383599
• Wikidata: Q82175383
• Mol file: 128746-80-5.mol

Synonyms:128746-80-5;2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone;2-bromo-1-(4-thiophen-2-ylphenyl)ethanone;4-(Thien-2-yl)phenacyl bromide;Ethanone, 2-bromo-1-[4-(2-thienyl)phenyl]-;2-bromo-1-[4-(thiophen-2-yl)phenyl]ethan-1-one;2-Bromo-1-(4-(thiophen-2-yl)phenyl)ethan-1-one;Ethanone,2-bromo-1-[4-(2-thienyl)phenyl]-;2-bromo-1-(4-(thiophen-2-yl)phenyl)ethanone;SCHEMBL2544725;DTXSID70383599;MFCD06659059;AKOS015908905;MS-22164;CS-0338005;FT-0731600;W-205302

Chemical Property of 2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone

Chemical Property:

• Vapor Pressure: 1.35E-05mmHg at 25°C
• Melting Point: 115 °C
• Refractive Index: 1.627
• Boiling Point: 367.6 °C at 760 mmHg
• Flash Point: 176.1 °C
• PSA: 45.31000
• Density: 1.488 g/cm³
• LogP: 3.99270
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 279.95575
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

4-(Thien-2-yl)phenacyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C(=O)CBr

Technology Process of 2-Bromo-1-[4-(2-thienyl)phenyl]-1-ethanone

There total 1 articles about 2-Bromo-1-[4-(2-thienyl)phenyl]-1-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: 33.0%

1-(4-(thiophen-2-yl)phenyl)ethanone (35294-37-2) → 2-bromo-1-[4-(2-thienyl)phenyl]-1-ethanone (128746-80-5) + 2-bromo-5-(4-bromoacetylphenyl)thiophene (1060772-73-7)

Guidance literature:

With bromine; In chloroform; at 20 ℃; for 1h;

DOI:10.1021/jm800663w

Reference yield: 84.0%

2-bromo-1-[4-(2-thienyl)phenyl]-1-ethanone (128746-80-5) + 1-(3-(methylthio)phenyl)thiourea (71205-41-9) → N-(3-(methylthio)phenyl)-4-(4-(thiophen-2-yl)phenyl)thiazol-2-amine

Guidance literature:

In ethanol; Reflux;

DOI:10.1016/j.ejmech.2015.05.030

Reference yield:

2-bromo-1-[4-(2-thienyl)phenyl]-1-ethanone (128746-80-5) + N-(bis(4-methoxybenzyl)carbamothioyl)benzamide (1361413-53-7) → C36H30N2O3S2

Guidance literature:

In N,N-dimethyl-formamide; at 85 ℃; for 3h;

DOI:10.1016/j.ejmech.2020.112833

upstream raw materials:

1-(4-(thiophen-2-yl)phenyl)ethanone

Downstream raw materials:

2-[4-(2-thienyl)phenyl]-4-methylmorpholin-2-ol