Phenyl 2-bromo-2-propyl ketone supplier

Name
2-BROMO-2-METHYLPROPIOPHENONE
EINECS 233-879-6
CAS No. 10409-54-8
Article Data43
CAS DataBase
Density 1.358 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO
Boiling Point 253 °C at 760mmHg
Molecular Weight 227.101
Flash Point 48.2 °C
Transport Information
Appearance clear yellow liquid
Safety 26-27-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-2-methylpropiophenone;2-Bromoisobutyrophenone;α-Bromoisobutyrophenone;
PSA 17.07000
LogP 3.04280

Synthetic route

: 611-70-1
phenyl isopropyl ketone

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With hydrogen bromide; bromine In dichloromethane for 4h;	100%
With bromine; acetic acid In tetrachloromethane	98%
With bromine In dichloromethane for 0.25h; Ambient temperature;	94%

: 39753-69-0
2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With bromine In chloroform for 1h;	96%
Multi-step reaction with 2 steps 1: aq. sodium nitrite, aq. hydrochloric acid / ethanol / 24 h 2: 90 percent / bromine / CHCl3 View Scheme

: 46175-01-3
2-methyl-2-nitroso-1-phenyl-1-propanone

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With bromine In chloroform	90%

: 2234-23-3
C17H20O

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With p-nitrobenzenesulfonamide; hydrogen bromide; oxygen; sodium nitrite In water; acetonitrile at 0 - 60℃; under 760.051 Torr; for 24.5h;	89%

: 5912-93-6
1-bromo-2-methyl-1-phenyl-1-propene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With [hydroxy(tosyloxy)iodo]benzene; toluene-4-sulfonic acid In acetonitrile at 40℃; for 15h; Inert atmosphere;	80%

: 538-93-2
1-phenyl-2-methylpropane

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With hydrogen bromide; oxygen In water; ethyl acetate at 20℃; for 24h; Irradiation;	57%

: 20769-85-1
2-bromoisobutyric acid bromide

: 71-43-2
benzene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride
With aluminum (III) chloride In dichloromethane at 20℃; for 1h;

: 768-49-0
(2-methyl-1-propenyl)-benzene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
(i) NBS, aq. DMSO, (ii) CrO3, H2SO4; Multistep reaction;

: 36867-23-9
(1,1-dimethyl-3-trimethylsilanyloxy-butyl)-(2-methyl-propenylidene)-amine

: phenylmagnesium bromide

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
(i) THF, (ii) Br2, (iii) aq. oxalic acid; Multistep reaction;

: 7789-69-7
phosphorus pentabromide

: 611-70-1
phenyl isopropyl ketone

petroleum ether: petroleum ether

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

...Expand

: 611-69-8
rac-2-methyl-1-phenylpropan-1-ol

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Cr2O3-H2SO4 2: petroleum ether; PBr5 View Scheme

: 71-43-2
benzene

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 1 h / 5 °C 2: sodium hypochlorite; hydrogen bromide / water / 13.5 h / 20 - 50 °C View Scheme

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 118887-71-1
2-azido-2-methyl-1-phenylpropan-1-one

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl-formamide at 20℃; for 1h;	100%
With sodium azide
With sodium azide In dimethyl sulfoxide at 20℃;	522 mg

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 10387-40-3
potassium thioacetate

: 14225-58-2
S-α,α-dimethylphenacyl thioacetate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 0℃; for 0.5h;	100%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 105-07-7
4-cyanobenzaldehyde

: 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethyl-1-phenyl-1-propanone

Conditions

Conditions	Yield
With bismuth; zinc(II) fluoride In water-d2 for 16h;	98%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 108-98-5
thiophenol

: 59919-11-8
2-methyl-1-phenyl-2-(phenylthio)propan-1-one

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 0℃;	97%
In ethanol

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 611-70-1
phenyl isopropyl ketone

Conditions

Conditions	Yield
With sodium dithionite; potassium carbonate; 1,1′-dioctyl-4,4′-bipyridinium In water; toluene at 35℃; for 3h;	96%
With bismuth; ammonium fluoride-hydrogen fluoride In water at 20℃; for 5h;	95%
With sodium dithionite In water; N,N-dimethyl-formamide for 5h; Ambient temperature;	91%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 401636-52-0
di-tert-butyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

: 13031-08-8
4-phenylpivalophenone

Conditions

Conditions	Yield
With fac-tris(2-phenylpyridinato-N,C2')iridium(III); caesium carbonate In acetonitrile at 20℃; for 0.666667h; Mechanism; Reagent/catalyst; Solvent; Time; Schlenk technique; UV-irradiation; Inert atmosphere;	91%

: 67-56-1
methanol

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 57625-74-8
methyl 2-methyl-2-phenylpropionate

Conditions

Conditions	Yield
With silver hexafluoroantimonate for 2h; Ambient temperature; further reagent: Ag2CO3;	90%
With silver nitrate
With zinc dibromide at 115℃; for 5h; Addition; Rearrangement;

: 1003-73-2
3-picoline-N-oxide

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: nitrate d'α-(methyl-3 pyridinio-1 oxy)isobutyrophenone

Conditions

Conditions	Yield
With silver nitrate In acetonitrile Ambient temperature;	90%

: 67-56-1
methanol

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 13694-96-7
2-methoxy-3,3-dimethyl-2-phenyl-oxirane

Conditions

Conditions	Yield
With sodium methylate for 0.166667h; Heating;	90%
With potassium carbonate for 2h; Ambient temperature; further reagent: silver carbonate;	86%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 104-88-1
4-chlorobenzaldehyde

: 75990-53-3
3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenyl-1-propanone

Conditions

Conditions	Yield
With water; zinc In diethyl ether	90%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 100-52-7
benzaldehyde

A: 75990-52-2
2,2-dimethyl-1,3-diphenyl-3-hydroxypropan-1-one

B: 611-70-1
phenyl isopropyl ketone

Conditions

Conditions	Yield
With bismuth; zinc(II) fluoride In water-d2 for 12h;	A 90% B 5 % Spectr.
With bismuth; ammonium fluoride-hydrogen fluoride In water-d2 at 20℃; for 12h;

...Expand

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 587-04-2
3-Chlorobenzaldehyde

: 75990-54-4
3-(3-Chloro-phenyl)-3-hydroxy-2,2-dimethyl-1-phenyl-propan-1-one

Conditions

Conditions	Yield
With water; zinc In diethyl ether	88%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 55305-43-6
N-cyano-N-phenyl-p-toluenesulfonamide

: 7391-73-3
2,2-dimethyl-3-oxo-3-phenylpropanenitrile

Conditions

Conditions	Yield
With zinc In N,N-dimethyl-formamide at 20℃; for 2h; Reagent/catalyst; Inert atmosphere; Sealed tube;	88%

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 51110-88-4
2,2,4,4-tetramethyl-1,5-diphenyl-3-thiapentane-1,5-dione

Conditions

Conditions	Yield
With sodium sulfide In N,N-dimethyl-formamide for 2h; Ambient temperature;	87.1%
With sodium sulfide; Aliquat 336 In hexane; water for 6h; Ambient temperature; Yield given;

: 10409-54-8
2-bromo-2-methyl-1-phenyl-propan-1-one

: 124-41-4
sodium methylate

: 13694-96-7
2-methoxy-3,3-dimethyl-2-phenyl-oxirane

Conditions

Conditions	Yield
In methanol for 3h;	87%
With diethyl ether

Phenyl 2-bromo-2-propyl ketone Specification

The Phenyl 2-bromo-2-propyl ketone, with the CAS registry number 10409-54-8, is also known as 2-Bromoisobutyrophenone. Its EINECS number is 233-879-6. This chemical's molecular formula is C₁₀H₁₁BrO and molecular weight is 227.1. What's more, its systematic name is 2-Bromo-2-methyl-1-phenylpropan-1-one.

Physical properties of Phenyl 2-bromo-2-propyl ketone are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.08; (6)ACD/BCF (pH 7.4): 92.08; (7)ACD/KOC (pH 5.5): 886.28; (8)ACD/KOC (pH 7.4): 886.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 53.24 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 21.1×10^-24 cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.358 g/cm³; (19)Flash Point: 48.2 °C; (20)Enthalpy of Vaporization: 49.03 kJ/mol; (21)Boiling Point: 253 °C at 760 mmHg; (22)Vapour Pressure: 0.0188 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-methyl-1-phenyl-propan-1-one at 65 °C. This reaction will need reagent t-butyl bromide and solvent dimethylsulfoxide with the reaction time of 24 hours. The yield is about 70%.

Uses of Phenyl 2-bromo-2-propyl ketone: it can be used to produce 2-methyl-2-phenyl-propionic acid methyl ester at the ambient temperature. It will need reagent AgSbF₆ with the reaction time of 2 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(Br)(C)C
(2)InChI: InChI=1/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3
(3)InChIKey: QMOSZSHTSOWPRX-UHFFFAOYAN

Product Name

2-BROMO-2-METHYLPROPIOPHENONE

Synthetic route

Phenyl 2-bromo-2-propyl ketone Specification

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