Bromomethyl 2-naphthyl ketone

Base Information

• Chemical Name: Bromomethyl 2-naphthyl ketone
• CAS No.: 613-54-7
• Molecular Formula: C12H9 Br O
• Molecular Weight: 249.107
• Hs Code.: 29147000
• European Community (EC) Number: 210-348-7
• NSC Number: 36849
• DSSTox Substance ID: DTXSID70210199
• Nikkaji Number: J95.597C
• Wikidata: Q72448347
• ChEMBL ID: CHEMBL101423
• Mol file: 613-54-7.mol

Synonyms:2-bromo-2'-acetonaphthone;BRACET

Chemical Property of Bromomethyl 2-naphthyl ketone

Chemical Property:

• Appearance/Colour: brown to off white crystalline powder
• Melting Point: 82-84 °C(lit.)
• Refractive Index: 1.5130 (estimate)
• Boiling Point: 349.8 °C at 760 mmHg
• Flash Point: 99.1 °C
• PSA: 17.07000
• Density: 1.48 g/cm³
• LogP: 3.41740
• Storage Temp.: Refrigerator (+4°C)
• Solubility.: acetonitrile: soluble
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.98368
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

2-Bromoacetylnaphthalene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
• Uses: 2-Bromo-2′-acetonaphthone was used to determine the concentration of tetra-acids in calcium naphthenate deposits. 2-Bromo-2′-acetonaphthone was used as derivation reagent for determination of fatty acids extracted from Botryococcus braunii by HPLC.

Technology Process of Bromomethyl 2-naphthyl ketone

There total 17 articles about Bromomethyl 2-naphthyl ketone 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%

methyl 2-naphthyl ketone (93-08-3) → 2-Bromo-2'-acetonaphthone (613-54-7)

Guidance literature:

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

Reference yield: 92.0%

2-naphthylethylene (827-54-3,28406-56-6) → 2-Bromo-2'-acetonaphthone (613-54-7)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; Bromoform; [bis(acetoxy)iodo]benzene; In 1,4-dioxane; at 20 ℃; for 8h; Reagent/catalyst; Irradiation;

DOI:10.1016/j.cclet.2020.02.022

Reference yield: 87.0%

methyl 2-naphthyl ketone (93-08-3) → 2,2-dibromo-1-(naphthalen-2-yl)ethan-1-one (13651-05-3) + 2-Bromo-2'-acetonaphthone (613-54-7)

Guidance literature:

With N-Bromosuccinimide; silica gel; In methanol; for 0.3h; chemoselective reaction; Reflux;

DOI:10.1016/j.cclet.2013.09.014

upstream raw materials:

methyl 2-naphthyl ketone

diazomethane

2-naphthaloyl chloride

naphthalene

Downstream raw materials:

(2-Naphthoylmethyl)-4-picolinium bromide

1-(2-[2]naphthyl-2-oxo-ethyl)-quinolinium; bromide

2-(2-[2]naphthyl-2-oxo-ethyl)-isoquinolinium; bromide

1-(naphthalen-2-yl)-2-(p-tolylthio)ethan-1-one