2-Bromo-1-(3-thienyl)-1-ethanone

Base Information

• Chemical Name: 2-Bromo-1-(3-thienyl)-1-ethanone
• CAS No.: 1468-82-2
• Molecular Formula: C6H5 Br O S
• Molecular Weight: 205.075
• Hs Code.: 2934999090
• European Community (EC) Number: 687-508-1
• DSSTox Substance ID: DTXSID30380029
• Nikkaji Number: J947.664D
• Wikidata: Q72512992
• Mol file: 1468-82-2.mol

Synonyms:1468-82-2;2-Bromo-1-(3-thienyl)-1-ethanone;2-bromo-1-(thiophen-3-yl)ethanone;3-(Bromoacetyl)thiophene;3-bromoacetylthiophene;2-bromo-1-thiophen-3-ylethanone;2-Bromo-1-(Thiophen-3-Yl)Ethan-1-One;Ethanone, 2-bromo-1-(3-thienyl)-;MFCD02677695;2-bromo-1-(3-thienyl)ethanone;SCHEMBL228306;3-(Bromoacetyl)thiophene, 97%;DTXSID30380029;TXEJYUFJFSPCHH-UHFFFAOYSA-N;2-bromo-1-(thien-3-yl)ethanone;2-bromo-1-thiophen-3-yl-ethanone;BAA46882;BBL102950;STL556759;AKOS005069339;BL007628;BB 0259676;FT-0611339;EN300-97202;2-bromo-1-(3-thienyl)-1-ethanone, AldrichCPR;A808562;10X-0708;W-205646

Chemical Property of 2-Bromo-1-(3-thienyl)-1-ethanone

Chemical Property:

• Appearance/Colour: off-white solid.
• Vapor Pressure: 0.0255mmHg at 25°C
• Melting Point: 61 °C
• Refractive Index: 1.601
• Boiling Point: 247.5 °C at 760 mmHg
• Flash Point: 103.5 °C
• PSA: 45.31000
• Density: 1.658 g/cm³
• LogP: 2.32570
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.92445
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-(thiophen-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiC
• Hazard Codes: C,Xi,Xn
• Statements: 34-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C(=O)CBr

Technology Process of 2-Bromo-1-(3-thienyl)-1-ethanone

There total 7 articles about 2-Bromo-1-(3-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: 97.0%

3-(bromoethynyl)thiophene (1374225-73-6) → 2-bromo-1-thiophen-3-yl-ethanone (1468-82-2)

Guidance literature:

With water; In 1,2-dichloro-ethane; at 20 ℃; for 14h;

DOI:10.1080/00397911.2018.1528616

Reference yield: 87.0%

3-ethynylthiophene (67237-53-0) → 2-bromo-1-thiophen-3-yl-ethanone (1468-82-2)

Guidance literature:

3-ethynylthiophene; With methanol; gold(III) chloride; silver(I) triflimide; In 1,4-dioxane; at 45 ℃;

With N-Bromosuccinimide; In 1,4-dioxane; regioselective reaction;

DOI:10.1002/ejoc.201601416

Reference yield: 85.0%

1-(thiophen-3-yl)-ethanone (1468-83-3) → 2-bromo-1-thiophen-3-yl-ethanone (1468-82-2)

Guidance literature:

With aluminium trichloride; bromine; In diethyl ether;

DOI:10.7164/antibiotics.48.1336

upstream raw materials:

1-(thiophen-3-yl)-ethanone

sodium carbonate

3-(bromoethynyl)thiophene

3-ethynylthiophene

Downstream raw materials:

methyl 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-(4-(thiophen-3-yl)thiazol-2-ylamino)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate

methyl 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-((2-oxo-2-(thiophen-3-yl)ethyl)(4-(thiophen-3-yl)thiazol-2-yl)amino)-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate

4-((bis(3-fluorophenyl)methoxy)carbonyl)-1-methyl-1-(2-oxo-2-(thiophen-3-yl)ethyl)piperidinium bromide

(3R)-1-(2-oxo-2-(thiophen-3-yl)ethyl)-3-(2-phenyl-2-(piperidin-1-yl)acetoxy)-1-azoniabicyclo[2.2.2]octane bromide