1-(3-Bromophenyl)-2-methylpropan-1-one

Base Information

• Chemical Name: 1-(3-Bromophenyl)-2-methylpropan-1-one
• CAS No.: 2415-93-2
• Molecular Formula: C10H11 Br O
• Molecular Weight: 227.101
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00606743
• Nikkaji Number: J2.258.230E
• Wikidata: Q72445812
• Mol file: 2415-93-2.mol

Synonyms:1-(3-Bromophenyl)-2-methylpropan-1-one;2415-93-2;1-(3-Bromo-phenyl)-2-methyl-propan-1-one;1-bromo-3-isobutyrylbenzene;SCHEMBL3125040;DTXSID00606743;NHXAYTCRAVHZQZ-UHFFFAOYSA-N;CAA41593;MFCD08437145;AKOS010015942;AB90564;AM90077;DS-3400;1-(3-Bromophenyl)-2-methyl-1-propanone;N12197

Chemical Property of 1-(3-Bromophenyl)-2-methylpropan-1-one

Chemical Property:

• Vapor Pressure: 0.0039mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 279.9°Cat760mmHg
• Flash Point: 63.4°C
• PSA: 17.07000
• Density: 1.331g/cm³
• LogP: 3.28780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Bromophenyl)-2-methylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromophenyl)-2-methylpropan-1-one

There total 7 articles about 1-(3-Bromophenyl)-2-methylpropan-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: 93.0%

methanol (67-56-1) + 1-(3-bromophenyl)-1-propanone (19829-31-3) → 1-(3-bromophenyl)-2-methylpropane-1-one (2415-93-2)

Guidance literature:

With C₃₄H₂₇IrN₂P⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); caesium carbonate; at 65 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.201405990

Reference yield: 87.0%

methanol (67-56-1) + 1-(3-Bromophenyl)ethanone (2142-63-4) → 1-(3-bromophenyl)-2-methylpropane-1-one (2415-93-2)

Guidance literature:

With C₂₁H₁₇ClN₅ORu⁽¹⁺⁾*Cl^(1-); potassium tert-butylate; at 100 ℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;

DOI:10.1021/acs.orglett.7b02105

Reference yield: 81.0%

1-(2-methylprop-1-en-1-yl)pyrrolidine (2403-57-8) + 3-bromobenzoic acid isopropylamide (35306-75-3) → 1-(3-bromophenyl)-2-methylpropane-1-one (2415-93-2)

Guidance literature:

3-bromobenzoic acid isopropylamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.333333h; Inert atmosphere; Schlenk technique;

1-(2-methylprop-1-en-1-yl)pyrrolidine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere; Schlenk technique;

With hydrogenchloride; In dichloromethane; water; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201801443

upstream raw materials:

1-(3-bromophenyl)-1-propanone

methyl iodide

3-bromobenzoyl chloride

isopropylmagnesium chloride

Downstream raw materials:

3'-bromo-2,2-dimethylpropiophenone

C₂₂H₁₇BrO

C₁₈H₁₅BrO

2-(3-bromophenyl)-2-isopropyl-1,3-dioxolane

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