5-Bromo-2-hydroxybenzophenone

Base Information

• Chemical Name: 5-Bromo-2-hydroxybenzophenone
• CAS No.: 55082-33-2
• Molecular Formula: C13H9 Br O2
• Molecular Weight: 277.117
• Hs Code.: 2914700090
• European Community (EC) Number: 624-718-4
• NSC Number: 22344
• DSSTox Substance ID: DTXSID70281642
• Nikkaji Number: J2.215.094D
• Wikidata: Q82015665
• Mol file: 55082-33-2.mol

Synonyms:5-Bromo-2-hydroxybenzophenone;55082-33-2;(5-bromo-2-hydroxyphenyl)(phenyl)methanone;2-benzoyl-4-bromophenol;(5-bromo-2-hydroxyphenyl)-phenylmethanone;NSC22344;Methanone, (5-bromo-2-hydroxyphenyl)phenyl-;ChemDiv2_000064;Oprea1_723732;SCHEMBL145318;5-Bromo-2-hydroxy-benzophenone;DTXSID70281642;IVIICRNXAGUXLR-UHFFFAOYSA-N;HMS1369C20;STR07864;MFCD00525062;NSC-22344;5-Bromo-2-hydroxybenzophenone, 98%;AKOS001578162;(5-bromo-2-hydroxyphenyl)phenylmethanone;Isoxazole, 3-(4-bromophenyl)-5-phenyl-;(5-bromo-2-hydroxy-phenyl)-phenyl-methanone;B2341;CS-0269722;EU-0034233;FT-0640290;EN300-1276539;A830476;SR-01000395071;SR-01000395071-1

Chemical Property of 5-Bromo-2-hydroxybenzophenone

Chemical Property:

• Vapor Pressure: 7.41E-06mmHg at 25°C
• Melting Point: 111-114 °C(lit.)
• Boiling Point: 365.5°C at 760 mmHg
• PKA: 7.37±0.43(Predicted)
• Flash Point: 174.9°C
• PSA: 37.30000
• Density: 1.521g/cm³
• LogP: 3.38570
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.97859
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-2-hydroxybenzophenone ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O

Technology Process of 5-Bromo-2-hydroxybenzophenone

There total 22 articles about 5-Bromo-2-hydroxybenzophenone 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: 94.0%

iodobenzene (591-50-4) + 5-bromosalicyclaldehyde (1761-61-1) → 5-bromo-2-hydroxybenzophenone (55082-33-2)

Guidance literature:

With nickel(II) chloride hexahydrate; tetrabutylammomium bromide; sodium hydroxide; In ethylene glycol; at 120 ℃; for 6h;

DOI:10.1039/c5ra18890c

Reference yield: 91.0%

4-bromophenyl benzoate (1523-17-7) → 5-bromo-2-hydroxybenzophenone (55082-33-2)

Guidance literature:

With aluminum (III) chloride; at 160 - 180 ℃; for 3h;

DOI:10.1039/c7nj00617a

Reference yield: 91.0%

4-bromo-phenol (106-41-2) + benzoyl chloride (98-88-4) → 5-bromo-2-hydroxybenzophenone (55082-33-2)

Guidance literature:

With aluminum (III) chloride; In neat (no solvent); at 110 ℃; for 0.166667h; chemoselective reaction;

DOI:10.4314/bcse.v29i2.14

upstream raw materials:

4-bromophenyl benzoate

2-Hydroxybenzophenone

4-bromo-phenol

Benzotrichlorid

Downstream raw materials:

(E)-(5-bromo-2-hydroxyphenyl)(phenyl)methanone oxime

5-bromo-2-hydroxy-N-phenylbenzamide

5-bromo-2-hydroxy-benzophenone-(Z)-oxime

4-bromo-2-(hydroxy(phenyl)methyl)phenol

Refernces

• 1、 Bononi, Giulia,Granchi, Carlotta,Lapillo, Margherita,Giannotti, Massimiliano,Nieri, Daniela,Fortunato, Serena,Boustani, Maguie El,Caligiuri, Isabella,Poli, Giulio,Carlson, Kathryn E.,Kim, Sung Hoon,Macchia, Marco,Martinelli, Adriano,Rizzolio, Flavio,Chicca, Andrea,Katzenellenbogen, John A.,Minutolo, Filippo,Tuccinardi, Tiziano. "Discovery of long-chain salicylketoxime derivatives as monoacylglycerol lipase (MAGL) inhibitors". . p. 817 - 836. Retrieved 2018/08/24.
• 2、 Saha, Arijit,Payra, Soumen,Dutta, Dipa,Banerjee, Subhash. "Acid-Functionalised Magnetic Ionic Liquid [AcMIm]FeCl4 as Catalyst for Oxidative Hydroxylation of Arylboronic Acids and Regioselective Friedel–Crafts Acylation". . p. 1129 - 1134. Retrieved 2017/08/18.