1-(Benzofuran-3-yl)-2-bromoethanone

Base Information

• Chemical Name: 1-(Benzofuran-3-yl)-2-bromoethanone
• CAS No.: 187657-92-7
• Molecular Formula: C10H7BrO2
• Molecular Weight: 239.068
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID90380202
• Nikkaji Number: J2.646.495A
• Wikidata: Q82170317
• Mol file: 187657-92-7.mol

Synonyms:187657-92-7;1-(Benzofuran-3-yl)-2-bromoethanone;1-(1-Benzofuran-3-yl)-2-bromo-1-ethanone;1-(1-benzofuran-3-yl)-2-bromoethanone;1-(benzofuran-3-yl)-2-bromoethan-1-one;1-(1-benzofuran-3-yl)-2-bromoethan-1-one;SCHEMBL1903688;3-(2-bromoacetyl)benzo[b]furan;DTXSID90380202;WVHFTONHSRLBGL-UHFFFAOYSA-N;1-benzofuran-3-yl-2-bromo-ethanone;MFCD03407369;AKOS005215847;3-AMINO-2-BUTENETHIOAMIDE,98;AS-31425;BB 0261938;CS-0318368;FT-0605464;N-(4-methylsulfonylphenyl)methanesulfonohydrazide;A813164;W-206368

Chemical Property of 1-(Benzofuran-3-yl)-2-bromoethanone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000755mmHg at 25°C
• Melting Point: 136 °C
• Refractive Index: 1.636
• Boiling Point: 306.782 °C at 760 mmHg
• Flash Point: 139.337 °C
• PSA: 30.21000
• Density: 1.583 g/cm³
• LogP: 3.01040
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.96294
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

1-(Benzofuran-3-yl)-2-bromoethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 36/37/38-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)C(=O)CBr

Technology Process of 1-(Benzofuran-3-yl)-2-bromoethanone

There total 2 articles about 1-(Benzofuran-3-yl)-2-bromoethanone 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%

3-acetylbenzo[b]furan (66611-15-2) → 1-(benzofuran-3-yl)-2-bromoethane-1-one (187657-92-7)

Guidance literature:

With tetra-N-butylammonium tribromide; In methanol; dichloromethane; at 20 ℃; for 15h;

Reference yield:

3-acetylbenzo[b]furan (66611-15-2) + copper(II)bromide (7789-45-9) → 1-(benzofuran-3-yl)-2-bromoethane-1-one (187657-92-7)

Guidance literature:

In chloroform; ethyl acetate;

Reference yield: 99.0%

1-(benzofuran-3-yl)-2-bromoethane-1-one (187657-92-7) → 3-acetylbenzo[b]furan (66611-15-2)

Guidance literature:

With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile); In toluene; at 20 ℃; for 2h; Heating / reflux;

upstream raw materials:

3-acetylbenzo[b]furan

copper(II)bromide

Downstream raw materials:

4-acetylamino-3-(2'-oxo-2'-<3''-benzofuryl>-ethyl)-aminobenzoic acid t-butyl ester

(S)-(+)-(benzofuran-3-yl)oxirane

C₁₈H₁₇NO₂

3-acetylbenzo[b]furan

Refernces

• 1、 -. "Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin". Page/Page column 97. . Retrieved 2008/06/13.
• 2、 -. "Condensed thiazole derivatives, having 5-HT receptor affinity". . . Retrieved 2008/06/13.