5'-Bromo-2'-hydroxyacetophenone

Base Information

• Chemical Name: 5'-Bromo-2'-hydroxyacetophenone
• CAS No.: 1450-75-5
• Molecular Formula: C8H7BrO2
• Molecular Weight: 215.046
• Hs Code.: 29147000
• NSC Number: 46621
• DSSTox Substance ID: DTXSID50162864
• Nikkaji Number: J1.296.783G
• Wikidata: Q72456782
• ChEMBL ID: CHEMBL4469150
• Mol file: 1450-75-5.mol

Synonyms:1450-75-5;5'-Bromo-2'-hydroxyacetophenone;1-(5-Bromo-2-hydroxyphenyl)ethanone;2-Acetyl-4-bromophenol;5-bromo-2-hydroxyacetophenone;1-(5-bromo-2-hydroxyphenyl)ethan-1-one;Ethanone, 1-(5-bromo-2-hydroxyphenyl)-;2'-Hydroxy-5'-bromoacetophenone;MFCD00191850;2-hydroxy-5-bromoacetophenone;5-bromo-2-hydroxy acetophenone;BRN 2045140;Acetophenone, 5'-bromo-2'-hydroxy- (6CI,7CI,8CI);4-08-00-00328 (Beilstein Handbook Reference);1-[5-Bromo-2-hydroxyphenyl]ethanone;NSC46621;SCHEMBL309016;CHEMBL4469150;5?-Bromo-2?-hydroxyacetophenone;DTXSID50162864;5/'-Bromo-2/'-hydroxyacetophenone;CK2552;NSC 46621;NSC-46621;STL253529;Acetophenone, 5'-bromo-2'-hydroxy-;AKOS000112340;1-(5-bromo-2-hydroxyphenyl) ethanone;1-(5-bromo-2-hydroxyphenyl)-ethanone;AB04623;AC-8266;CS-W007495;FS-1294;1-(5-bromo-2-hydroxy-phenyl)-ethanone;5'-Bromo-2'-hydroxyacetophenone, 98%;LS-67218;SY018236;AM20020501;B2061;FT-0633556;EN300-21489;A21054;AE-641/03312016;J-200077;Z104500026;5 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 5'-Bromo-2'-hydroxyacetophenone

Chemical Property:

• Appearance/Colour: white crystalline solid
• Melting Point: 58-61 °C
• Boiling Point: 282.6 °C at 760 mmHg
• PKA: 9.59±0.18(Predicted)
• Flash Point: 124.7 °C
• PSA: 37.30000
• Density: 1.586 g/cm³
• LogP: 2.35730
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in Chloroform
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

1-(5-Bromo-2-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Br)O
• Uses: 5?-Bromo-2?-hydroxyacetophenone (5-Bromo-2-hydroxyacetophenone) may be used in ligand in the preparation of tetrahedral metallocene complexes containing vanadium(IV), synthesis of {2?-[1-(5-bromo-2-oxidophenyl) ethylidene] benzohydrazidato (2-)} tris(pyridine) nickel(II)] pyridine solvate, synthesis of N?-[1-(5-bromo-2-hydroxyphenyl)ethylidene]-3,4,5-trihydroxybenzohydrazide dimethyl sulfoxide solvate trihydrate, preparation of 6-bromochromen-4-one.

Technology Process of 5'-Bromo-2'-hydroxyacetophenone

There total 27 articles about 5'-Bromo-2'-hydroxyacetophenone 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: 100.0%

4-bromophenyl acetate (1927-95-3) → 5-Bromo-2-hydroxyacetophenone (1450-75-5)

Guidance literature:

With aluminium trichloride; at 100 ℃; for 2h;

Reference yield: 100.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 5-Bromo-2-hydroxyacetophenone (1450-75-5)

Guidance literature:

With sulfuric acid; C₁₈H₁₆Br₄N₂O₃V; dihydrogen peroxide; potassium bromide; In methanol; water; at 20 ℃; for 0.333333h; Catalytic behavior;

DOI:10.1016/j.poly.2013.10.026

Reference yield: 98.0%

5-bromo-2-methoxyacetophenone (16740-73-1) → 5-Bromo-2-hydroxyacetophenone (1450-75-5)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 - 25 ℃;

DOI:10.3184/030823410X12708998015900

upstream raw materials:

4-bromophenyl acetate

o-hydroxyacetophenone

4-bromo-phenol

acetic acid

Downstream raw materials:

1-(5-bromo-2-hydroxy-phenyl)-3t-[2]pyridyl-propenone

(E)-1-(5-bromo-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

2-bromo-1-(5-bromo-2-hydroxyphenyl)ethan-1-one

4-bromo-2-ethylphenol