1-(5-Bromothiophen-3-YL)ethanone

Base Information

• Chemical Name: 1-(5-Bromothiophen-3-YL)ethanone
• CAS No.: 59227-67-7
• Molecular Formula: C6H5BrOS
• Molecular Weight: 205.075
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70506761
• Nikkaji Number: J1.185.652G
• Wikidata: Q82362665
• Mol file: 59227-67-7.mol

Synonyms:1-(5-BROMOTHIOPHEN-3-YL)ETHANONE;59227-67-7;1-(5-bromothiophen-3-yl)ethan-1-one;1-(5-Bromo-3-thienyl)ethanone;4-acetyl-2-bromothiophene;SCHEMBL1820040;DTXSID70506761;BEDKDDPMXRCHPJ-UHFFFAOYSA-N;MFCD16659624;1-(5-bromo-thiophen-3-yl)-ethanone;AKOS015835328;AB71462;CS-W006603;DS-0896;FS-3059;FT-0647204;A869242;J-503426

Chemical Property of 1-(5-Bromothiophen-3-YL)ethanone

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 63-64 °C
• Refractive Index: 1.584
• Boiling Point: 258.695 °C at 760 mmHg
• Flash Point: 110.255 °C
• PSA: 45.31000
• Density: 1.619 g/cm³
• LogP: 2.71320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.92445
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

1-(5-Bromothiophen-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CSC(=C1)Br

Technology Process of 1-(5-Bromothiophen-3-YL)ethanone

There total 3 articles about 1-(5-Bromothiophen-3-YL)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: 75.0%

1-(thiophen-3-yl)-ethanone (1468-83-3) → 1-(2-bromo-thien-4-yl)ethanone (59227-67-7)

Guidance literature:

With bromine; sodium acetate; In acetic acid; Ambient temperature;

Reference yield:

2-Acetylthiophene (88-15-3,97511-16-5) → 1-(2-bromo-thien-4-yl)ethanone (59227-67-7)

Guidance literature:

2-Acetylthiophene; With sodium acetate; acetic acid; at 20 ℃; for 0.166667h;

With bromine; at 0 ℃; for 2h;

Reference yield:

1-(thiophen-3-yl)-ethanone (1468-83-3) + N-Bromosuccinimide (128-08-5) → 1-(2-bromo-thien-4-yl)ethanone (59227-67-7)

Guidance literature:

In acetic acid; at 20 ℃; Rate constant; Thermodynamic data; activation energy;

upstream raw materials:

1-(thiophen-3-yl)-ethanone

N-Bromosuccinimide

2-Acetylthiophene

Downstream raw materials:

1-(5-phenylthiophen-3-yl)ethan-1-one

C₁₇H₁₆N₄OS

(S)-4'-<<4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thien-2-yl>thio>acetophenone O-(cyanomethyl)oxime

(S)-4'-<<4-(2,2,4-trimethyl-1,3-dioxolan-4-yl)thien-2-yl>thio>acetophenone oxime