2-Bromopropiophenone

Base Information

• Chemical Name: 2-Bromopropiophenone
• CAS No.: 2114-00-3
• Deprecated CAS: 78541-87-4
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 29147090
• European Community (EC) Number: 218-307-5
• NSC Number: 89689
• DSSTox Substance ID: DTXSID10870938
• Nikkaji Number: J31.122G
• Mol file: 2114-00-3.mol

Synonyms:2-Bromopropiophenone;2114-00-3;alpha-Bromopropiophenone;2-bromo-1-phenylpropan-1-one;1-Propanone, 2-bromo-1-phenyl-;1-Benzoyl-1-bromoethane;1-Bromoethyl phenyl ketone;TL 336;2-Bromo-1-phenyl-1-propanone;PROPIOPHENONE, 2-BROMO-;alpha-Bromopropiophenone-d5;2-bromo-1-phenyl-propan-1-one;NSC 89689;.alpha.-Bromopropiophenone;EINECS 218-307-5;BRN 0508550;87258-66-0;2-bromo-propiophenone;WLN: EY1&VR;2-Bromopropiophenone, 95%;SCHEMBL187606;.alpha.-Methylphenacyl bromide;1-phenyl-2-bromo-1-propanone;1-phenyl-1-oxo-2-bromopropane;.alpha.-Bromoethyl phenyl ketone;DTXSID10870938;2-Bromo-1-phenyl-1-propanone #;NSC89689;MFCD00000145;NSC-89689;AKOS000210946;AKOS016050375;LS-125063;2-Bromopropiophenone, technical grade, 90%;AM20060546;B2933;CS-0204638;FT-0622122;EN300-20881;F14834;4-07-00-00684 (Beilstein Handbook Reference);A815161;A828397;W-107571;2-bromo-1-(o-tolyl)ethanone;2-Bromo-2'-methylacetophenone

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Chemical Property of 2-Bromopropiophenone

Chemical Property:

• Appearance/Colour: clear yellow to greenish liquid
• Vapor Pressure: 0.0256mmHg at 25°C
• Refractive Index: n20/D 1.571(lit.)
• Boiling Point: 247.5 °C at 760 mmHg
• Flash Point: 62.9 °C
• PSA: 17.07000
• Density: 1.41 g/cm³
• LogP: 2.65270
• Storage Temp.: Refrigerator
• Water Solubility.: Insoluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)Br
• Uses: 2-Bromopropiophenone (α-Bromopropiophenone) may be used for the synthesis of 2-phenylmorpholinols. It may also be used in the synthesis of N-phenacylammonium salts [N-(α-benzoylbenzyl)-, N-(1-benzoylethyl)-, N-phenacyl-, pyrazinium, 3-bromoquinolinium, benzothiazolium, or p-cyanopyridinium hexafluoroantimonates].

Technology Process of 2-Bromopropiophenone

There total 64 articles about 2-Bromopropiophenone 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%

α-bromopropionyl bromide (563-76-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-bromo-1-phenyl-1-propanone (2114-00-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 - 40 ℃; for 2.5h;

DOI:10.1002/jps.2600811215

Reference yield: 99.0%

2-allyl-3-bromo-2-phenyl-2,5-dihydrofuran → 2-bromo-1-phenyl-1-propanone (2114-00-3)

Guidance literature:

With p-nitrobenzenesulfonamide; hydrogen bromide; oxygen; sodium nitrite; In water; acetonitrile; at 60 ℃; for 12h; Reagent/catalyst;

DOI:10.1039/c7cc02166f

Reference yield: 96.0%

(1-Octyloxy-propyl)-benzene (93541-04-9) → 2-bromo-1-phenyl-1-propanone (2114-00-3)

Guidance literature:

With p-nitrobenzenesulfonamide; hydrogen bromide; oxygen; sodium nitrite; In water; acetonitrile; at 0 - 60 ℃; for 24.5h; under 760.051 Torr;

DOI:10.1039/c7cc02166f

upstream raw materials:

1-phenylprop-1-enyl acetate

2-ethylbenzaldehyde

1-phenyl-propan-1-one

α-bromopropionyl bromide

Downstream raw materials:

2-aziridin-1-yl-1-phenyl-propan-1-ol

(SR)-(+/-)-1-phenyl-2-(1-pyrrolidinyl)-1-propanone

1-phenyl-2-piperidin-1-yl-propan-1-one

2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one

Refernces

• 1、 Blough, Bruce E.,Decker, Ann M.,Landavazo, Antonio,Namjoshi, Ojas A.,Partilla, John S.,Baumann, Michael H.,Rothman, Richard B.. "The dopamine, serotonin and norepinephrine releasing activities of a series of methcathinone analogs in male rat brain synaptosomes". . p. 915 - 924. Retrieved 2019.
• 2、 -. "β-KETO SULFIDE COMPOUND, PHOTOCURING AGENT AND PHOTOSENSITIVE RESIN COMPOSITION COMPRISING THEM". Paragraph 0150-0151. . Retrieved 2021/02/25.
• 3、 Gediya, Shweta K.,Clarkson, Guy J.,Wills, Martin. "Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones". . p. 11309 - 11330. Retrieved 2020/10/12.