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4-Bromophenylacetic acid

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Name

4-Bromophenylacetic acid

EINECS 217-523-7
CAS No. 1878-68-8 Density 1.616 g/cm3
PSA 37.30000 LogP 2.07620
Solubility slightly soluble in water Melting Point 114-117 °C(lit.)
Formula C8H7BrO2 Boiling Point 326 °C at 760 mmHg
Molecular Weight 215.05 Flash Point 151 °C
Transport Information Appearance white solid
Safety 37/39-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1878-68-8 (Benzeneaceticacid, 4-bromo-) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Aceticacid, (p-bromophenyl)- (7CI,8CI);(4-Bromophenyl)acetic acid;(p-Bromophenyl)acetic acid;2-(4-Bromophenyl)acetic acid;4-Bromobenzeneaceticacid;NSC 14358;

 

4-Bromophenylacetic acid Synthetic route

6940-50-7

4-bromo-DL-mandelic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With phosphonic Acid; methanesulfonic acid; sodium iodide In water at 95℃; for 72h; Inert atmosphere;98.7%
41841-16-1

(4-bromo-phenyl)-acetic acid methyl ester

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With sodium hydroxide for 2h; Heating;93%
With sodium hydroxide In tetrahydrofuran; methanol; water at 23℃; for 12h;
201230-82-2

carbon monoxide

589-15-1

1-bromomethyl-4-bromobenzene

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium iodide In formic acid at 60℃; under 760 Torr; for 18h; Carbonylation;93%
With cobalt(II) pyridine-2-carboxylate; palladium diacetate; sodium hydroxide In methanol at 180℃; under 11251.1 Torr; for 6h; Autoclave;93%
14062-25-0

Ethyl 4-bromophenylacetate

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With water; sodium hydroxide In 1,4-dioxane at 60℃; for 2h; pH=10 - 14;93%
124-38-9

carbon dioxide

57477-93-7

hydrazone of p-bromobenzaldehyde

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; caesium carbonate; cesium fluoride In N,N-dimethyl-formamide at 80℃; under 760.051 Torr; for 24h; chemoselective reaction;88%
201230-82-2

carbon monoxide

589-17-3

p-bromobenzyl chloride

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With cobalt(II) pyridine-2-carboxylate; palladium diacetate; sodium hydroxide In methanol at 180℃; under 11251.1 Torr; for 6h; Autoclave;88%

methoxymethyl 2-(4-bromophenyl)acetate

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With bismuth(III) chloride; water In acetonitrile at 50℃; for 1h;85%
2039-82-9

1-bromo-4-ethenyl-benzene

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With Oxone; iodine In 1,2-dimethoxyethane; water at 20℃; for 4h; regioselective reaction;83%
With D-glucose; oxygen In aq. phosphate buffer at 30℃; for 10h; pH=8; Green chemistry; Enzymatic reaction; regioselective reaction;71%
201230-82-2

carbon monoxide

589-15-1

1-bromomethyl-4-bromobenzene

A

106-38-7

para-bromotoluene

B

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With palladium hydroxide, 20 wt% on carbon; tetrabutylammomium bromide; water In tetrahydrofuran at 110℃; under 7500.75 Torr; for 4h; Sealed tube; Autoclave;A 9 %Chromat.
B 82%

cis-2,3-epoxy-3-(p-bromophenyl)propanenitrile

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; water In 1,4-dioxane at 175℃; for 0.5h; Microwave irradiation; Green chemistry;78%
589-87-7

1,4-bromoiodobenzene

64-19-7

acetic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With silver(I) acetate; sodium acetate; palladium dichloride at 130℃; for 24h; Schlenk technique; Inert atmosphere; chemoselective reaction;63%

2,2,2-trichloroethyl 2-(4-bromophenyl)acetate

A

1255911-49-9

4-bromophenylacetic acid 2-deuterio-2,2-dichloroethyl ester

B

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With indium; deuterated ammonium chloride In tetrahydrofuran-d8; water-d2 at 20℃; for 40h; Reflux; chemoselective reaction;A 3%
B 54%
201230-82-2

carbon monoxide

589-15-1

1-bromomethyl-4-bromobenzene

A

19829-56-2

4,4'-dibromobibenzyl

B

54523-47-6

1,3-bis(4-bromophenyl)propan-2-one

C

88364-54-9

(4-Bromo-phenyl)-acetic acid 4-bromo-benzyl ester

D

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
iron pentacarbonyl; tetrabutylammonium sulfate In sodium hydroxide; dichloromethane at 25℃; under 760 Torr; for 24h;A 7%
B 9%
C 22%
D 50%
124-38-9

carbon dioxide

477841-90-0

2-[(4-bromophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With potassium ethoxide In 1,4-dioxane at 100℃; for 24h;50%
589-15-1

1-bromomethyl-4-bromobenzene

/PBSAB018-1380/

/PBSAB018-1380/

A

19829-56-2

4,4'-dibromobibenzyl

B

54523-47-6

1,3-bis(4-bromophenyl)propan-2-one

C

88364-54-9

(4-Bromo-phenyl)-acetic acid 4-bromo-benzyl ester

D

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With calcium hydroxide In dichloromethane; water at 20℃; for 23h;A 5 % Spectr.
B 62 % Spectr.
C 11 % Spectr.
D 4%
103-82-2

phenylacetic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With water; bromine; mercury(II) oxide
103-82-2

phenylacetic acid

A

18698-97-0

ortho-bromophenylacetic acid

B

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With bromine
With bromine; mercury(II) oxide
With water; bromine; mercury(II) oxide
16532-79-9

4-Bromophenylacetonitrile

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With sulfuric acid
With potassium hydroxide
With hydrogenchloride at 100℃; im Rohr;
1197-55-3

4-aminophenylacetic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

99-90-1

para-bromoacetophenone

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With morpholine; sulfur Erwaermen des Reaktionsprodukts mit aethanol. Natronlauge;
Multi-step reaction with 2 steps
1: BF3*O(C2H5)3, Pb(OAc)4 / benzene / 12 h / Ambient temperature
2: 93 percent / aq. NaOH / 2 h / Heating
View Scheme
Stage #1: para-bromoacetophenone With morpholine; toluene-4-sulfonic acid; sulfur at 120℃;
Stage #2: With tetrabutylammomium bromide; sodium hydroxide In ethanol; water at 100℃; for 4h;
Stage #1: para-bromoacetophenone With morpholine; toluene-4-sulfonic acid; sulfur at 120℃;
Stage #2: With tetrabutylammomium bromide; sodium hydroxide at 100℃;
65739-05-1

1-(2,2,2-trichloroethyl)-4-bromobenzene

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With sulfuric acid
With sulfuric acid at 80 - 90℃; for 6h; Inert atmosphere;117.4 g

phenacyl 4-bromophenylacetate

A

103-82-2

phenylacetic acid

B

98078-08-1

2-oxo-2-phenylethyl 2-phenylacetate

C

98-86-2

acetophenone

D

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With N,N-dimethyl-aniline In acetonitrile for 2h; Mechanism; Irradiation; sensitized deprotection; competing bromide and carboxylate elimination;
103-82-2

phenylacetic acid

7726-95-6

bromine

mercury oxide

mercury oxide

A

18698-97-0

ortho-bromophenylacetic acid

B

1878-68-8

2-(4-bromophenyl)-acetic acid

103-82-2

phenylacetic acid

128-08-5

N-Bromosuccinimide

A

18698-97-0

ortho-bromophenylacetic acid

B

100-52-7

benzaldehyde

C

1878-68-8

2-(4-bromophenyl)-acetic acid

77129-81-8

2-(4-bromophenyl)-1-morpholinoethanethione

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride at 100℃; for 8h;
99-90-1

para-bromoacetophenone

12-phenylethynyl-6-methyl-5,6,7,12-tetrahydrodibenzo[c,f][1,5]azastibocine

12-phenylethynyl-6-methyl-5,6,7,12-tetrahydrodibenzo[c,f][1,5]azastibocine

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: S; p-toluenesulfonic acid / 8 h / 120 - 130 °C
2: aq. NaOH; triethyl benzyl ammonium chloride / 8 h / 100 °C
View Scheme
860190-07-4

3-(4-bromo-phenyl)-2-thioxo-propionic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: aqueous ethanol; hydroxylamine
3: ethanolic KOH-solution
View Scheme
100246-20-6

3-(4-bromo-phenyl)-2-hydroxyimino-propionic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: ethanolic KOH-solution
View Scheme
100-44-7

benzyl chloride

1878-68-8

2-(4-bromophenyl)-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Bromierung
2: ethanol
3: sulfuric acid
View Scheme
1878-68-8

2-(4-bromophenyl)-acetic acid

37859-24-8

2-(4-bromophenyl)acetyl chloride

Conditions
ConditionsYield
With thionyl chloride100%
With thionyl chloride In dichloromethane100%
With thionyl chloride In toluene100%
67-56-1

methanol

1878-68-8

2-(4-bromophenyl)-acetic acid

41841-16-1

(4-bromo-phenyl)-acetic acid methyl ester

Conditions
ConditionsYield
With chloro-trimethyl-silane for 15h; Ambient temperature;100%
With hydrogenchloride for 1h; Heating;100%
With hydrogenchloride for 3h; Heating;100%
98-80-6

phenylboronic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

5728-52-9

(4-biphenylyl)acetic acid

Conditions
ConditionsYield
With sodium carbonate; Pd-complex on fluorous reversed silica gel In water at 80℃; for 16h; Suzuki reaction;100%
With carbon-doped cobalt; C118H94N4O7P8; palladium diacetate; sodium carbonate In tetrahydrofuran; water at 20 - 60℃; for 14h; Suzuki Coupling; Inert atmosphere;100%
With palladium diacetate; potassium carbonate In water; toluene at 65℃; for 20h; Solvent; Suzuki-Miyaura Coupling;100%
1765-93-1

4-fluoroboronic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

6908-38-9

2-(4'-fluoro-[1,1'-biphenyl]-4-yl)acetic acid

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In toluene at 95℃; for 4h; Suzuki-Miyaura Coupling;100%
With 2C2H5NO2*Pd(2+)*2Cl(1-); potassium carbonate In water at 20℃; for 6h; Suzuki-Miyaura Coupling; Green chemistry;96%
With potassium carbonate In water at 20℃; for 4h; Suzuki-Miyaura Coupling; Green chemistry;96%
Stage #1: 4-fluoroboronic acid; 2-(4-bromophenyl)-acetic acid With sodium carbonate; palladium 10% on activated carbon In water; isopropyl alcohol at 65 - 70℃; Suzuki Coupling;
Stage #2: With sulfuric acid; water
75%
100-39-0

benzyl bromide

1878-68-8

2-(4-bromophenyl)-acetic acid

127152-98-1

benzyl 2-(4-bromophenyl)acetate

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 20 - 100℃;100%
With potassium carbonate In acetone for 12h; Reflux; Inert atmosphere;95%
With potassium carbonate In N,N-dimethyl-formamide at 0 - 100℃; Inert atmosphere;73%
38041-19-9

4-aminotetrahydropyran

1878-68-8

2-(4-bromophenyl)-acetic acid

1350411-40-3

2-(4-bromophenyl)-N-(tetrahydropyran-4-yl)acetamide

Conditions
ConditionsYield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 16h; Cooling with ice;100%
120-20-7

2-(3,4-dimethoxyphenyl)-ethylamine

1878-68-8

2-(4-bromophenyl)-acetic acid

109558-15-8

2-(4-bromophenyl)-N-(3,4-dimethoxyphenethyl)acetamide

Conditions
ConditionsYield
With diethyl cyanophosphonate; triethylamine In N,N-dimethyl-formamide at 0 - 20℃;100%
Stage #1: 2-(4-bromophenyl)-acetic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.166667h;
Stage #2: 2-(3,4-dimethoxyphenyl)-ethylamine With triethylamine In dichloromethane at 20℃;
90%
101-83-7

N-cyclohexyl-cyclohexanamine

1878-68-8

2-(4-bromophenyl)-acetic acid

C8H7BrO2*C12H23N

Conditions
ConditionsYield
In methanol at 20℃;100%
1878-68-8

2-(4-bromophenyl)-acetic acid

4654-39-1

4-bromophenethanol

Conditions
ConditionsYield
Stage #1: 2-(4-bromophenyl)-acetic acid With dimethylsulfide borane complex In tetrahydrofuran at 0 - 20℃; for 3h;
Stage #2: With hydrogenchloride; water In tetrahydrofuran at 0 - 80℃; for 0.5h;
99%
With lithium aluminium tetrahydride In diethyl ether at 20℃; for 0.25h;92%
With C25H42N6Rh(1+)*CF3O3S(1-); phenylsilane In tetrahydrofuran at 30℃; for 20h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;88%
162751-96-4

5,6-dimethoxy-2-(N-propylamino)indan

1878-68-8

2-(4-bromophenyl)-acetic acid

745062-37-7

2-(4-bromo-phenyl)-N-(5,6-dimethoxy-indan-2-yl)-N-propyl-acetamide

Conditions
ConditionsYield
With diethyl cyanophosphonate; triethylamine In dichloromethane at 20℃; for 24h;99%
5720-07-0

4-methoxyphenylboronic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

60277-22-7

2-(4'-methoxy-[1,1'-biphenyl]-4-yl)acetic acid

Conditions
ConditionsYield
With sodium carbonate; Pd-complex on fluorous reversed silica gel In water at 80℃; for 16h; Suzuki reaction;99%
With potassium carbonate In water at 20℃; for 4h; Suzuki-Miyaura Coupling; Green chemistry;97%
With 2C2H5NO2*Pd(2+)*2Cl(1-); potassium carbonate In water at 20℃; for 6h; Suzuki-Miyaura Coupling; Green chemistry;92%
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In toluene at 95℃; for 4h; Suzuki-Miyaura Coupling;52%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In methanol at 65℃; for 24h;
109-01-3

1-methyl-piperazine

1878-68-8

2-(4-bromophenyl)-acetic acid

349430-56-4

2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethan-1-one

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 20h;99%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 19h;3.20 g
64-17-5

ethanol

98-80-6

phenylboronic acid

1878-68-8

2-(4-bromophenyl)-acetic acid

14062-23-8

4-biphenylylacetic acid ethyl ester

Conditions
ConditionsYield
With tetra-butylammonium acetate; Pd EnCat-30TM In water at 120℃; for 0.166667h; Suzuki cross-coupling; microwave irradiation;99%
874183-97-8

6,7-dimethoxy-3-(4-methoxyphenyl)-1-(prop-2-en-1-yl)-1H-quinolin-2-one

1878-68-8

2-(4-bromophenyl)-acetic acid

4-{3-[1,2-dihydro-6,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]prop-1-enyl}benzeneacetic acid

Conditions
ConditionsYield
With caesium carbonate; triphenylphosphine; [Pd(OAc)2] In water; N,N-dimethyl-formamide at 120℃; for 16h; Heck reaction;99%
74-88-4

methyl iodide

1878-68-8

2-(4-bromophenyl)-acetic acid

41841-16-1

(4-bromo-phenyl)-acetic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In acetone at 60℃;99%
With potassium carbonate In acetone at 60℃;99%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 0 - 20℃; for 2h;75%
1878-68-8

2-(4-bromophenyl)-acetic acid

14062-25-0

Ethyl 4-bromophenylacetate

Conditions
ConditionsYield
With sulfuric acid In ethanol99%
With toluene-4-sulfonic acid In diethyl ether; ethanol
Multi-step reaction with 2 steps
1: oxalyl dichloride / N,N-dimethyl-formamide; dichloromethane / 20 °C / Inert atmosphere
2: triethylamine; dmap / dichloromethane / 0 - 20 °C / Inert atmosphere
View Scheme
87120-72-7

1-(tert-butoxycarbonyl)-4-aminopiperidine

1878-68-8

2-(4-bromophenyl)-acetic acid

1334001-49-8

4-[2-(4-bromophenyl)acetylamino]piperidine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;99%
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 1.25h;96.9%
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 16h; Cooling with ice;96.9%
Stage #1: 1-(tert-butoxycarbonyl)-4-aminopiperidine; 2-(4-bromophenyl)-acetic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.0833333h;
Stage #2: With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In dichloromethane at 20℃; for 3h;
93%
1878-68-8

2-(4-bromophenyl)-acetic acid

885951-20-2

2-(4-bromo-phenyl)-3-hydroxy-propenal

Conditions
ConditionsYield
With trichlorophosphate In N,N-dimethyl-formamide at 4 - 75℃; for 16h; Inert atmosphere;99%
76-05-1

trifluoroacetic acid

57260-71-6

1-t-Butoxycarbonylpiperazine

1878-68-8

2-(4-bromophenyl)-acetic acid

2-(4-bromophenyl)-1-(piperazin-1-yl)ethanone trifluoroacetic acid

Conditions
ConditionsYield
Stage #1: 1-t-Butoxycarbonylpiperazine; 2-(4-bromophenyl)-acetic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃;
Stage #2: trifluoroacetic acid In dichloromethane at 20℃; for 1h;
99%
57260-71-6

1-t-Butoxycarbonylpiperazine

1878-68-8

2-(4-bromophenyl)-acetic acid

1007210-75-4

C17H23BrN2O3

Conditions
ConditionsYield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;98%

C7β-Hydroxyobacunone

1878-68-8

2-(4-bromophenyl)-acetic acid

C34H37BrO8

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;98%
5443-49-2

α-bromocinnamaldehyde

1878-68-8

2-(4-bromophenyl)-acetic acid

4-bromo-2-(4-bromophenyl)-5-phenylpenta-2,4-dienoic acid

Conditions
ConditionsYield
With acetic anhydride; triethylamine for 5h; Knoevenagel Condensation; Reflux;98%

C11H16ClN*ClH

1878-68-8

2-(4-bromophenyl)-acetic acid

C19H21BrClNO

Conditions
ConditionsYield
With triethylamine; 1,1'-carbonyldiimidazole In dichloromethane at 0 - 30℃;98%
119878-15-8

1-methyl-1-azaspiro<4.5>decan-10-amine

1878-68-8

2-(4-bromophenyl)-acetic acid

119878-25-0

2-(4-Bromo-phenyl)-N-((5S,6R)-1-methyl-1-aza-spiro[4.5]dec-6-yl)-acetamide

Conditions
ConditionsYield
With 1,1'-carbonyldiimidazole In dichloromethane for 2h;97%
64-17-5

ethanol

1878-68-8

2-(4-bromophenyl)-acetic acid

14062-25-0

Ethyl 4-bromophenylacetate

Conditions
ConditionsYield
With sulfuric acid for 24h; Reflux;97%
With toluene-4-sulfonic acid for 3h; Reflux;97%
With toluene-4-sulfonic acid Inert atmosphere;96%
1878-68-8

2-(4-bromophenyl)-acetic acid

2-(4-bromophenyl)acetic anhydride

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In toluene at 20℃; for 0.25h; Inert atmosphere;97%
With 2,4,6-trimethyl-pyridine; bis(trichloromethyl) carbonate In tetrahydrofuran for 0.0166667h;
With dicyclohexyl-carbodiimide In toluene at 20℃; for 0.25h;
106-41-2

4-bromo-phenol

1878-68-8

2-(4-bromophenyl)-acetic acid

1017242-01-1

4-bromophenyl 2-(4-bromophenyl)acetate

Conditions
ConditionsYield
With dmap In dichloromethane at 0 - 20℃;97%
1234564-83-0

N-(7-amino-1,8-naphthyridin-2-yl)-2-ethylhexanamide

1878-68-8

2-(4-bromophenyl)-acetic acid

1234564-87-4

N-(7-(2-(4-bromophenyl)acetamido)-1,8-naphthyridin-2-yl)-2-ethylhexanamide

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 25℃; Inert atmosphere;97%
98-16-8

3-trifluoromethylaniline

1878-68-8

2-(4-bromophenyl)-acetic acid

349420-02-6

2-(4-bromo-phenyl)-N-(3-trifluoromethyl-phenyl)-acetamide

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h;97%

4-Bromophenylacetic acid Specification

The IUPAC name of this chemical is 2-(4-bromophenyl)acetic acid. With the CAS registry number 1878-68-8, it is also named as Acide p-bromophenylacetique. The product's categories are Phenylacetic acid series; Fine Chemical & Intermediates; Bromides; Carboxes; Acids and Derivatives; Aromatic Phenylacetic Acids and Derivatives; Aromatics Compounds; Aromatics; Carbonyl Compounds; Carboxylic Acids. It is white solid slightly which is soluble in water. Additionally, 4-Bromophenylacetic acid should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.84; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 45.05 cm3; (14)Molar Volume: 133 cm3; (15)Polarizability: 17.86×10-24 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Enthalpy of Vaporization: 59.98 kJ/mol; (18)Vapour Pressure: 9.03E-05 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 213.962942; (21)MonoIsotopic Mass: 213.962942; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 11; (24)Complexity: 139.

Preparation of 4-Bromophenylacetic acid: It can be obtained by 1-bromo-4-bromomethyl-benzene and carbon monoxide. This reaction needs reagent [RhCl(1,5-cyclooctadiene)]2 and KI and solvent formic acid at temperature of 60 °C and pressure of 760. The reaction time is 18 hours. The yield is 93 %.

Uses of 4-Bromophenylacetic acid: It can react with phthalic acid anhydride to get 3-(4-bromo-benzylidene)-3H-isobenzofuran-1-one. This reaction needs reagent NaOAc at temperature of 230 - 240 °C. The reaction time is 3 hours. The yield is 82 %.

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

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)CC(=O)O
2. InChI:InChI=1/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11) 
3. InChIKey:QOWSWEBLNVACCL-UHFFFAOYAS

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1050mg/kg (1050mg/kg)   Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.

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