1-(4,5-Dibromo-2-thienyl)-1-ethanone

Base Information

• Chemical Name: 1-(4,5-Dibromo-2-thienyl)-1-ethanone
• CAS No.: 7209-12-3
• Molecular Formula: C6H4Br2OS
• Molecular Weight: 283.971
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00377507
• Nikkaji Number: J2.572.230B
• Wikidata: Q82166747
• Mol file: 7209-12-3.mol

Synonyms:1-(4,5-Dibromo-2-thienyl)-1-ethanone;1-(4,5-dibromothiophen-2-yl)ethanone;7209-12-3;2-Acetyl-4,5-dibromothiophene;1-(4,5-dibromothiophen-2-yl)ethan-1-one;4,5-dibromo-2-acetylthiophene;SCHEMBL2043829;DTXSID00377507;OQALQEZJNNWAFM-UHFFFAOYSA-N;1-(4,5-dibromo-2-thienyl)ethanone;MFCD06659622;AKOS005071502;Methyl(4,5-dibromo-2-thienyl) ketone;EN300-208800;9Y-0839

Chemical Property of 1-(4,5-Dibromo-2-thienyl)-1-ethanone

Chemical Property:

• Melting Point: 83-85
• PSA: 45.31000
• LogP: 3.47570
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 283.83291
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

95% ^*data from raw suppliers

1-(4,5-Dibromo-2-thienyl)-1-ethanone >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(S1)Br)Br

Technology Process of 1-(4,5-Dibromo-2-thienyl)-1-ethanone

There total 5 articles about 1-(4,5-Dibromo-2-thienyl)-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: 99.0%

2,3-dibromothiophen (3140-93-0) + acetyl chloride (75-36-5) → 1-(4,5-dibromothiophen-2-yl)ethanone (7209-12-3)

Guidance literature:

With aluminium trichloride; In carbon disulfide; at 20 ℃;

DOI:10.1080/00397910701649064

Reference yield:

2,3,5-tribromothiophene (3141-24-0) + acetyl chloride (75-36-5) → 1-(4,5-dibromothiophen-2-yl)ethanone (7209-12-3) + 1-(3,5-dibromo-[2]thienyl)-ethanone (80775-52-6) + Tetrabromothiophene (3958-03-0) + 3-Acetyl-2,4,5-tribromothiophene (80775-47-9)

Guidance literature:

aluminium trichloride; In carbon disulfide; Product distribution; Mechanism; 1) RT, overnight, 2) reflux, 1 h;

Reference yield:

2,3-dibromothiophen (3140-93-0) + acetic acid (64-19-7,77671-22-8) → 1-(4,5-dibromothiophen-2-yl)ethanone (7209-12-3)

Guidance literature:

2,3-dibromothiophen; acetic acid; With trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 0.25h;

With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1039/d0ob01228a

upstream raw materials:

2,3-dibromothiophen

acetyl chloride

2-Acetylthiophene

2,3,5-tribromothiophene

Downstream raw materials:

2-acetyl-4-bromothiopene

4,5-Dibromo-thiophene-2-carboxylic acid

4-bromo-thiophene-2-carboxylic acid

difluoroboryl{1-[4,5-bis(2,5-dimethylthiophen-3-yl)thiophen-2-yl]-3-phenyl-propane-1,3-dionate}