2-(4-Bromophenyl)-2-methylpropionic acid supplier

Name
2-(4-Bromophenyl)-2-methylpropionic acid
EINECS 696-555-7
CAS No. 32454-35-6
Article Data20
CAS DataBase
Density 1.456 g/cm³
Solubility
Melting Point 122-124 °C
Formula C₁₀H₁₁BrO₂
Boiling Point 334.239 °C at 760 mmHg
Molecular Weight 243.1
Flash Point 155.942 °C
Transport Information
Appearance White Solid
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzeneacetic acid, 4-bromo-alpha,alpha-dimethyl-;2-Methyl-2-(4-bromophenyl) propionic acid;
PSA 37.30000
LogP 2.81130

Synthetic route

: 101184-73-0
2-(4-bromophenyl)-2-methylpropanenitrile

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water at 80 - 85℃; for 18h; Hydrolysis;	99%
With water; potassium hydroxide In ethanol for 20h; Reflux;	5.3 g
With potassium hydroxide In ethylene glycol for 4h; Reflux;

: 1-bromo-4-(2-isocyanopropan-2-yl)benzene

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In ethanol at 100℃; for 16h;	99%

: 154825-97-5
methyl 2-(4-bromophenyl)-2,2-dimethylacetate

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
Stage #1: methyl 2-(4-bromophenyl)-2,2-dimethylacetate With water; lithium hydroxide In 1,4-dioxane at 50℃; for 5.5h; Stage #2: With hydrogenchloride In 1,4-dioxane; water	94%
Stage #1: methyl 2-(4-bromophenyl)-2,2-dimethylacetate With methanol; lithium hydroxide; water In tetrahydrofuran at 0 - 20℃; for 3h; Stage #2: With hydrogenchloride In water at 0℃;
Stage #1: methyl 2-(4-bromophenyl)-2,2-dimethylacetate With potassium hydroxide; ethanol; water at 90℃; for 15h; Stage #2: With hydrogenchloride; water pH=2.0;

: C15H20BrClO2

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
With water; sodium hydroxide In methanol for 2h; Reflux;	86%

: 826-55-1
2-methyl-2-phenylpropionic acid

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
Stage #1: 2-methyl-2-phenylpropionic acid With bromine; sodium carbonate In water at 25 - 30℃; pH=7; Stage #2: With hydrogenchloride In water pH=1 - 2; Product distribution / selectivity;	81%
Stage #1: 2-methyl-2-phenylpropionic acid With bromine; sodium hydrogencarbonate In water at 25 - 35℃; for 13h; Industry scale; Stage #2: With hydrogenchloride In water at 0 - 10℃; pH=5; Product distribution / selectivity;	46.6%
With tetrachloromethane; bromine; iron

: 14062-25-0
Ethyl 4-bromophenylacetate

: 74-88-4
methyl iodide

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
With sodium hydride

: 32454-36-7
2-(4-bromophenyl)-2-methyl-propionic acid ethyl ester

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
With methanol; sodium hydroxide; water In tetrahydrofuran at 20℃; for 16h;
Stage #1: 2-(4-bromophenyl)-2-methyl-propionic acid ethyl ester With methanol; potassium hydroxide; water at 0℃; for 2h; Heating / reflux; Stage #2: With hydrogenchloride; methanol In water

: 10519-96-7
potassium trimethylsilonate

: 154825-97-5
methyl 2-(4-bromophenyl)-2,2-dimethylacetate

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran

: 71-43-2
benzene

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / Industry scale 2.1: sodium hydrogencarbonate; bromine / water / 13 h / 25 - 35 °C / Industry scale 2.2: 0 - 10 °C / pH 5 View Scheme
Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / Industry scale 2.1: bromine; sodium carbonate / water / 25 - 30 °C / pH 7 2.2: pH 1 - 2 View Scheme

: 53086-53-6
2-(4-bromophenyl)propionic acid

: 74-88-4
methyl iodide

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)propionic acid With lithium diisopropyl amide In tetrahydrofuran at 45℃; for 1h; Inert atmosphere; Cooling with ice; Stage #2: methyl iodide In tetrahydrofuran at 0 - 20℃; Inert atmosphere;

: 41841-16-1
(4-bromo-phenyl)-acetic acid methyl ester

: 74-88-4
methyl iodide

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

Conditions

Conditions	Yield
Stage #1: (4-bromo-phenyl)-acetic acid methyl ester; methyl iodide With sodium hydride Stage #2: With potassium hydroxide

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 32454-37-8
2,2-dimethyl-2-(4-bromophenyl)ethanol

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)-2-methylpropionic acid With borane-THF In tetrahydrofuran at 0 - 20℃; Stage #2: With hydrogenchloride In tetrahydrofuran; water	100%
With lithium aluminium tetrahydride; diethyl ether
With lithium aluminium tetrahydride In diethyl ether at -78 - 23℃;
With lithium aluminium tetrahydride In diethyl ether at 20℃; Inert atmosphere;

: 67-56-1
methanol

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 154825-97-5
methyl 2-(4-bromophenyl)-2,2-dimethylacetate

Conditions

Conditions	Yield
With sulfuric acid; acetonitrile at 80 - 85℃; for 16 - 18h;	98%
With sulfuric acid In toluene at 63 - 67℃; for 16h; Industry scale;	79%
With sulfuric acid In toluene at 63 - 67℃; for 16h; Industry scale;	79%

: 1634-04-4
tert-butyl methyl ether

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 154825-97-5
methyl 2-(4-bromophenyl)-2,2-dimethylacetate

Conditions

Conditions	Yield
With sulfuric acid Reflux; regioselective reaction;	93%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 100-51-6
benzyl alcohol

: 578729-08-5
benzyl N-[1-(4-bromophenyl)-1-methylethyl]carbamate

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)-2-methylpropionic acid With diphenyl phosphoryl azide; triethylamine In toluene for 4h; Reflux; Stage #2: benzyl alcohol In toluene Reflux;	69%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 2077-19-2
2-(4-bromophenyl)propan-2-ol

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine; water; tert-butylammonium hexafluorophosphate(V) In acetone at 20℃; for 3h; Electrolysis;	67%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 3-[3-(4-fluoro-phenyl)-1-isopropyl-2,3-dihydro-1H-indol-2-yl]-propenal

: 2-(4-{3-[3-(4-fluoro-phenyl)-1-isopropyl-2,3-dihydro-1H-indol-2-yl]-1-hydroxy-allyl}-phenyl)-2-methyl-propionic acid

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)-2-methylpropionic acid With sodium hydride In tetrahydrofuran deprotonation; Stage #2: With tert.-butyl lithium In tetrahydrofuran at -72℃; Metallation; Stage #3: 3-[3-(4-fluoro-phenyl)-1-isopropyl-2,3-dihydro-1H-indol-2-yl]-propenal In tetrahydrofuran at -72℃; Condensation;	65%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 73183-34-3
bis(pinacol)diborane

: 909187-36-6
2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid

Conditions

Conditions	Yield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In dimethyl sulfoxide at 80℃; Inert atmosphere;	63%
With potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 80℃; for 18h;

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1418028-03-1
6-bromo-3,3-dimethylbenzofuran-2(3H)-one

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; potassium acetate; palladium diacetate; N-acetylglycine In tert-butyl alcohol at 100℃; for 12h; Sealed tube;	63%
With isopropylmagnesium bromide; triphenylphosphine; cobalt(II) chloride In tetrahydrofuran at 20℃; for 18h; Green chemistry;	41%
With [bis(acetoxy)iodo]benzene; palladium diacetate; potassium carbonate; N-acetylglycine In tert-butyl alcohol at 100℃; for 20h; Inert atmosphere;	26%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 105955-84-8
4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyraldehyde

: 83799-24-0
fexofenadine

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)-2-methylpropionic acid With sodium hydride In tetrahydrofuran at 25℃; for 0.5h; deprotonation; Stage #2: With tert.-butyl lithium In tetrahydrofuran at -72℃; for 0.916667h; Metallation; Stage #3: 4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyraldehyde In tetrahydrofuran at -72℃; for 2.5h; Condensation;	60%

: 288-36-8
1,2,3-triazole

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1236409-17-8
2-(2-(4-bromophenyl)propan-2-yl)oxazole

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)-2-methylpropionic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: 1,2,3-triazole With potassium carbonate In sulfolane at 120℃; for 1h;	43%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 871-29-4, 3721-37-7, 3721-38-8
trans-β-chloroacrylonitrile

: 1356089-38-7
2-[4-((E)-2-cyano-ethenesulfonyl)phenyl]-2-methylpropionic acid

Conditions

Conditions	Yield
Stage #1: 2-(4-bromophenyl)-2-methylpropionic acid With phenyllithium In tetrahydrofuran; toluene at -80℃; for 0.0833333h; Inert atmosphere; Stage #2: With n-butyllithium In tetrahydrofuran; hexane; toluene for 0.333333h; Inert atmosphere; Stage #3: trans-β-chloroacrylonitrile Further stages;	43%

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 75492-21-6
4-(1-hydroxy-2-methylpropan-2-yl)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiAlH4; diethyl ether 2: butyl lithium; diethyl ether / anschliessend Behandeln mit CO2 View Scheme

: 847358-99-0
(S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)amino)pentanamide

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 4'-[(1S)-1-[[(1S)-1-[[(1-cyanocyclopropyl)amino]carbonyl]-3-fluoro-3-methylbutyl]amino]-2,2,2-trifluoroethyl]-α,α-dimethyl-[1,1'-biphenyl]-4-acetic acid

Conditions

Conditions	Yield
With sodium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In DMF (N,N-dimethyl-formamide); water at 80℃; for 3h;

: trans-4-aminoadamantan-1-carboxylic acid methyl ester hydrochloride

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: E-4-[2-(4-bromo-phenyl)-2-methyl-propionylamino]-adamantane-1-carboxylic acid methyl ester

Conditions

Conditions	Yield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h;

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1040860-77-2
2-(4-bromophenyl)-2-methylpropanoic acid chloride

Conditions

Conditions	Yield
With thionyl chloride for 2h; Heating / reflux;

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: C24H34O3Si

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: lithium aluminium tetrahydride / diethyl ether / -78 - 23 °C 2.1: 1H-imidazole / dichloromethane / 23 °C 3.1: n-butyllithium / tetrahydrofuran / -78 °C 3.2: 23 °C 4.1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / 1,2-dimethoxyethane / 100 °C View Scheme

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1322094-75-6
C22H39BO3Si

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: lithium aluminium tetrahydride / diethyl ether / -78 - 23 °C 2.1: 1H-imidazole / dichloromethane / 23 °C 3.1: n-butyllithium / tetrahydrofuran / -78 °C 3.2: 23 °C View Scheme

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1322094-76-7
C23H32O3Si

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: lithium aluminium tetrahydride / diethyl ether / -78 - 23 °C 2.1: 1H-imidazole / dichloromethane / 23 °C 3.1: n-butyllithium / tetrahydrofuran / -78 °C 3.2: 23 °C 4.1: tetrakis(triphenylphosphine) palladium(0); caesium carbonate / 1,2-dimethoxyethane / 100 °C 5.1: lithium hydroxide monohydrate / tetrahydrofuran; methanol; water / 23 °C View Scheme

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1365091-34-4
2-[4-((E)-2-cyano-ethenesulfonyl)phenyl]-N-prop-2-ynylisobutyramide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: phenyllithium / tetrahydrofuran; toluene / 0.08 h / -80 °C / Inert atmosphere 1.2: 0.33 h / Inert atmosphere 2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: phenyllithium / toluene; tetrahydrofuran / 0.08 h / -80 °C / Inert atmosphere 1.2: 0.33 h 1.3: 0.25 h 2.1: acetic acid / water; methanol / 20 °C 2.2: 1 h 3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 1 h View Scheme

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1365091-28-6
(E)-3-{4-[1,1-dimethyl-2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-benzenesulfonyl}acrylonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: phenyllithium / tetrahydrofuran; toluene / 0.08 h / -80 °C / Inert atmosphere 1.2: 0.33 h / Inert atmosphere 2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: phenyllithium / toluene; tetrahydrofuran / 0.08 h / -80 °C / Inert atmosphere 1.2: 0.33 h 1.3: 0.25 h 2.1: acetic acid / water; methanol / 20 °C 2.2: 1 h 3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / tetrahydrofuran / 20 °C View Scheme

: 32454-35-6
2-(4-bromophenyl)-2-methylpropionic acid

: 1365091-35-5
2-[4-((E)-2-cyano-ethenesulfonyl)phenyl]-N-pyridin-2-ylmethylisobutyramide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: phenyllithium / tetrahydrofuran; toluene / 0.08 h / -80 °C / Inert atmosphere 1.2: 0.33 h / Inert atmosphere 2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: phenyllithium / toluene; tetrahydrofuran / 0.08 h / -80 °C / Inert atmosphere 1.2: 0.33 h 1.3: 0.25 h 2.1: acetic acid / water; methanol / 20 °C 2.2: 1 h 3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / tetrahydrofuran / 20 °C View Scheme

2-(4-Bromophenyl)-2-methylpropionic acid Chemical Properties

Molecular Structure of 2-(4-Bromophenyl)-2-methylpropionic acid (CAS NO.32454-35-6):

IUPAC Name: 2-(4-bromophenyl)-2-methylpropanoic acid
Empirical Formula: C₁₀H₁₁BrO₂
Molecular Weight: 243.0971
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 37.3 Å²
Index of Refraction: 1.559
Molar Refractivity: 53.895 cm³
Molar Volume: 166.931 cm³
Surface Tension: 43.054 dyne/cm
Density: 1.456 g/cm³
Flash Point: 155.942 °C
Enthalpy of Vaporization: 60.922 kJ/mol
Boiling Point: 334.239 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 122-124°C
Product Categories: Aromatics

2-(4-Bromophenyl)-2-methylpropionic acid Specification

2-(4-Bromophenyl)-2-methylpropionic acid , with CAS number of 32454-35-6, can be called 2-(4-Bromophenyl)-2-methylpropionic acid ; Bromophenylmethylpropionicacid ; 2-Methyl-2-(4-bromophenyl) propionic acid ; benzeneacetic acid, 4-bromo-alpha,alpha-dimethyl- . It is a white solid.

Product Name

2-(4-Bromophenyl)-2-methylpropionic acid

Synthetic route

2-(4-Bromophenyl)-2-methylpropionic acid Chemical Properties

2-(4-Bromophenyl)-2-methylpropionic acid Specification

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