3-Bromo-1-(4-methylphenyl)propan-1-one

Base Information

• Chemical Name: 3-Bromo-1-(4-methylphenyl)propan-1-one
• CAS No.: 33994-09-1
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.101
• DSSTox Substance ID: DTXSID40495496
• Wikidata: Q82343656

Synonyms:3-Bromo-1-(4-methylphenyl)propan-1-one;33994-09-1;SCHEMBL15199328;DTXSID40495496;3-?Bromo-?1-?(4-?methylphenyl)?-1-?propanone,

Chemical Property of 3-Bromo-1-(4-methylphenyl)propan-1-one

Chemical Property:

• Melting Point: 90 °C
• Boiling Point: 303.1±25.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.360±0.06 g/cm3(Predicted)
• LogP: 2.96270
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

3-Bromo-4'-methylpropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CCBr
• Uses: Used as a reactant in the stereoselective preparation of medium-sized carbocycles and heterocycles.

Technology Process of 3-Bromo-1-(4-methylphenyl)propan-1-one

There total 5 articles about 3-Bromo-1-(4-methylphenyl)propan-1-one 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-Bromopropionyl chloride (15486-96-1) + toluene (108-88-3,15644-74-3,16713-13-6) → β-bromoethyl-p-tolyl ketone (33994-09-1)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c5cc05808b

Reference yield:

2-bromo-4'-methylpropiophenone (92821-88-0,1451-82-7) → 4'-methylpropiophenone (5337-93-9) + β-bromoethyl-p-tolyl ketone (33994-09-1)

Guidance literature:

In acetonitrile; Photolysis;

DOI:10.1016/j.tet.2018.10.015

Reference yield:

3-bromopropionyl bromide (7623-16-7) + toluene (108-88-3,15644-74-3,16713-13-6) → β-bromoethyl-p-tolyl ketone (33994-09-1)

Guidance literature:

aluminium trichloride;

upstream raw materials:

3-Bromopropionyl chloride

toluene

3-bromopropionyl bromide

2-bromo-4'-methylpropiophenone

Downstream raw materials:

Brom-3-methyl-4-phenyl-1-propanol-1

1-(4-methylphenyl)prop-2-en-1-one

2-chloro-3-(β-p-methylbenzoylethyl)naphtho<1,2-d>imidazole

1-H-3-p-tolyl-4,5-dihydronaphtho<1,2-d>imidazo<3,2-c>-1,2,4-triazepine

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