1-(5-Bromoselenophen-2-yl)ethanone

Base Information

• Chemical Name: 1-(5-Bromoselenophen-2-yl)ethanone
• CAS No.: 31432-41-4
• Molecular Formula: C6H5 Br O Se
• Molecular Weight: 251.969
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70392540
• Wikidata: Q82190878
• Mol file: 31432-41-4.mol

Synonyms:1-(5-bromoselenophen-2-yl)ethanone;31432-41-4;Ethanone, 1-(5-bromoselenophene-2-yl)-;AI-942/25034161;DTXSID70392540;FT-0605786

Chemical Property of 1-(5-Bromoselenophen-2-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.00243mmHg at 25°C
• Boiling Point: 287.8°C at 760 mmHg
• Flash Point: 127.9°C
• PSA: 17.07000
• LogP: 1.70870
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 251.86890
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

95% ^*data from raw suppliers

ETHANONE, 1-(5-BROMOSELENOPHENE-2-YL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C([Se]1)Br

Technology Process of 1-(5-Bromoselenophen-2-yl)ethanone

There total 2 articles about 1-(5-Bromoselenophen-2-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: 61.0%

2-acetylselenophene (15429-03-5) → 1-(5-bromoselenophen-2-yl)ethanone (31432-41-4)

Guidance literature:

With bromine; sodium acetate; In water; for 2.5h; Ambient temperature;

Reference yield:

2-bromoselenophene (1449-68-9) + acetic anhydride (108-24-7) → 1-(5-bromoselenophen-2-yl)ethanone (31432-41-4)

Guidance literature:

With phosphoric acid; at 130 ℃;

Reference yield: 73.0%

1-(5-bromoselenophen-2-yl)ethanone (31432-41-4) + 4,4,4',4',6,6'-hexamethyl-2,2'-bi(1,3,2-dioxaborinane)bis(hexyleneglycolato)diboron (230299-21-5) → 1-(5-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)selenophen-2-yl)ethanone

Guidance literature:

With N',N''-bisoctadecyl-N-boc-L-glutamic acid diamide; N-ethyl-N,N-diisopropylamine; In water; acetonitrile; at 23 ℃; for 16h; Irradiation;

DOI:10.1021/acs.orglett.1c00451

upstream raw materials:

2-bromoselenophene

acetic anhydride

2-acetylselenophene

Downstream raw materials:

1-(5-bromo-selenophen-2-yl)-ethanone-phenylhydrazone