2,4-Dibromophenyl acetate

Base Information

• Chemical Name: 2,4-Dibromophenyl acetate
• CAS No.: 36914-79-1
• Molecular Formula: C8H6Br2O2
• Molecular Weight: 293.942
• DSSTox Substance ID: DTXSID60958114
• Nikkaji Number: J874.067D
• Wikidata: Q82938612
• Mol file: 36914-79-1.mol

Synonyms:2,4-Dibromophenol Acetate;2,4-Dibromophenyl acetate;36914-79-1;(2,4-dibromophenyl) acetate;Phenol, 2,4-dibromo-, acetate;Phenol, 2,4-dibromo-, 1-acetate;2,4-Dibromophenyl acetate #;SCHEMBL4314746;DTXSID60958114;RXBCSBQMWRLETO-UHFFFAOYSA-N;AMY39886;Acetic acid, 2,4-dibromophenyl ester;FT-0666515

Chemical Property of 2,4-Dibromophenyl acetate

Chemical Property:

• Vapor Pressure: 0.000914mmHg at 25°C
• Melting Point: 33.1-33.4 °C
• Boiling Point: 303.7°C at 760 mmHg
• Flash Point: 137.5°C
• PSA: 26.30000
• Density: 1.843g/cm³
• LogP: 3.13690
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.87141
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2,4-DibromophenolAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)Br)Br
• Uses: 2,4-Dibromophenol Acetate (cas# 36914-79-1) is a compound useful in organic synthesis.

Technology Process of 2,4-Dibromophenyl acetate

There total 6 articles about 2,4-Dibromophenyl acetate 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: 98.0%

2,4-dibromophenol (615-58-7) + acetic anhydride (108-24-7) → acetic acid 2,4-dibromophenyl ester (36914-79-1)

Guidance literature:

With sulfuric acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/ja074060h

Reference yield:

2,4,6-tribromophenyl acetate (607-95-4) → acetic acid 2,4-dibromophenyl ester (36914-79-1)

Guidance literature:

2,4,6-tribromophenyl acetate; With lithium chloride; zinc; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere;

With water; ammonium chloride; In tetrahydrofuran; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.200900575

Reference yield:

[bis(acetoxy)iodo]benzene (3240-34-4) + 1,3-dibromobenzene (108-36-1) → acetic acid 2,4-dibromophenyl ester (36914-79-1) + acetic acid 3,5-dibromo-phenyl ester (909389-74-8)

Guidance literature:

[bis(acetoxy)iodo]benzene; With 6-fluoropyridine-2-carboxylic acid; palladium diacetate; acetic anhydride; acetic acid; at 20 ℃; for 0.00416667h;

1,3-dibromobenzene; at 100 ℃; for 14h; Overall yield = 86 %Chromat.; Sealed tube;

DOI:10.1002/cctc.201600757

upstream raw materials:

2,4-dibromophenol

acetic anhydride

acetyl chloride

2,4,6-tribromophenyl acetate

Downstream raw materials:

3,5-dibromo-2-hydroxyacetophenone

2,4-dicyanophenyl acetate

(E)-1-(3,5-Dibromo-2-hydroxy-phenyl)-3-pyridin-3-yl-propenone

1-(3,5-Dibromo-2-hydroxy-phenyl)-3-pyridin-3-yl-propane-1,3-dione

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