1-Bromo-3-phenylpropane supplier

Name
1-Bromo-3-phenylpropane
EINECS 211-294-7
CAS No. 637-59-2
Article Data85
CAS DataBase
Density 1.31g/cm³
Solubility Insoluble in water
Melting Point -10°C (estimate)
Formula C₉H₁₁Br
Boiling Point 220.2 °C at 760 mmHg
Molecular Weight 199.09
Flash Point 101.7 °C
Transport Information
Appearance colorless to light yellow liquid
Safety 26-37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (3-Bromopropyl)benzene;(g-Bromopropyl)benzene;1-Bromo-3-phenylpropane;1-Phenyl-3-bromopropane;3-Bromo-1-phenylpropane;3-Phenyl-1-bromopropane;3-Phenylpropyl bromide;NSC 133438;
PSA 0.00000
LogP 3.01410

Synthetic route

: 122-97-4
3-Phenyl-1-propanol

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With polystyrene-supported triphenylphosphine dibromide In chloroform at 61℃; for 3h;	100%
Stage #1: 3-Phenyl-1-propanol With diisopropyl-carbodiimide; copper(II) bis(trifluoromethanesulfonate) In tetrahydrofuran at 100℃; for 0.0833333h; microwave irradiation; Stage #2: With Acetyl bromide In tetrahydrofuran at 150℃; for 0.0833333h; microwave irradiation; Further stages.;	98%
With allyl bromide; 1,1'-carbonyldiimidazole In acetonitrile for 1.5h; Heating;	97%

: 3742-75-4
3-phenylpropyl 4-methylbenzenesulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With 1-n-butyl-3-methylimidazolim bromide at 50℃; for 1h; Concentration; Temperature; Time; Inert atmosphere; Green chemistry;	100%
With lithium bromide In [(2)H6]acetone at 20℃; for 32h; Inert atmosphere;	95%
With potassium bromide In N,N-dimethyl-formamide at 20℃; for 12h; Product distribution / selectivity;	94%

: 69804-99-5
3-phenylpropanol methanesulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With 1-n-butyl-3-methylimidazolim bromide at 50℃; for 1h; Concentration; Temperature; Time; Inert atmosphere; Green chemistry;	100%
With sodium bromide In N,N-dimethyl-formamide at 25 - 30℃;	80%
With sodium tetrahydroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 18h;

: 866942-21-4
2-(3-Phenyl-propoxysulfonyl)-benzoic acid 1,4,7,10-tetraoxa-cyclododec-2-ylmethyl ester

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In acetone at 20℃; for 1.3h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time;	98%
With lithium bromide In [(2)H6]acetone at 20℃; for 1.3h; Inert atmosphere;	95%

: 866942-17-8
2-(3-phenyl-propoxysulfonyl)-benzoic acid 2-methoxy-ethyl ester

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In acetone for 0.3h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Heating;	97%
With lithium bromide In [(2)H6]acetone at 20℃; for 12h; Inert atmosphere;	95%

: 866942-18-9
3-phenylpropyl 2-(methoxyethoxyethylcarboxy)-1-benzosulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In acetone for 0.1h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Heating;	97%
With lithium bromide In acetone for 0.1h; Product distribution / selectivity; Heating / reflux;	97%
With lithium bromide In [(2)H6]acetone at 20℃; for 5h; Inert atmosphere;	95%

: 866942-16-7
3-phenylpropyl 2-(methylcarboxy)-1-benzenesulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In acetone for 0.75h; Product distribution; Further Variations:; Reagents; reaction time; Heating;	96%
With lithium bromide In acetone for 0.75h; Product distribution / selectivity; Heating / reflux;	96%
With sodium bromide In acetone for 3h; Product distribution / selectivity; Heating / reflux;	94%
With potassium bromide In acetone for 15h; Product distribution / selectivity; Heating / reflux;	92%

: 501-52-0
3-Phenylpropionic acid

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With indium(III) bromide; trimethylsilyl bromide; 1,1,3,3-Tetramethyldisiloxane In chloroform at 20 - 60℃; for 1.08333h; Reagent/catalyst; Solvent; Sealed tube; Inert atmosphere;	96%
With trimethylsilyl bromide; 1,1,3,3-Tetramethyldisiloxane; indium tribromide In chloroform at 60℃; for 1h; Reagent/catalyst; Sealed tube; Inert atmosphere;	96%
With indium(III) bromide; 1,1,3,3-Tetramethyldisiloxane; trimethylsilyl cyanide In chloroform at 60℃; Inert atmosphere;

: 866942-19-0
2-(3-phenyl-propoxysulfonyl)-benzoic acid 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethyl ester

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 3.3h; Inert atmosphere;	95%
With sodium bromide In acetone for 3.6h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Heating;	94%

: 866942-20-3
2-(3-phenyl-propoxysulfonyl)-benzoic acid 2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethyl ester

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With sodium bromide In acetone for 2.5h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Heating;	95%
With lithium bromide In [(2)H6]acetone at 20℃; for 2.3h; Inert atmosphere;	95%

: 14629-60-8
trimethyl(3-phenylpropoxy)silane

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With 4-aminophenyl diphenylphosphinite; N-Bromosuccinimide In dichloromethane for 1.5h; Heating;	95%

: 112471-51-9
2-(3-phenylpropoxy)tetrahydro-2H-pyran

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With 4-aminophenyl diphenylphosphinite; N-Bromosuccinimide In dichloromethane for 3h; Heating;	95%

: C22H30O5S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 25h; Inert atmosphere;	95%
With lithium bromide In acetone at 20℃; for 4.5h;

: C18H21FO5S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 10h; Inert atmosphere;	95%
With lithium bromide In acetone at 20℃; for 3.5h;

: C20H25FO6S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 4h; Inert atmosphere;	95%
With lithium bromide In acetone at 20℃; for 1h;

: 3-phenylpropyl 2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-5-fluorobenzene-1-sulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 2.5h; Inert atmosphere;	95%
With lithium bromide In acetone at 20℃; for 0.5h;

: 1082742-89-9
3-phenylpropyl quinoline-8-sulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 4.5h; Inert atmosphere;	95%
With titanium(IV) bromide In dichloromethane at 20℃; for 5.5h; Inert atmosphere;	89%

: 1174295-53-4
C20H24F2O6S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 2.5h; Inert atmosphere;	95%

: 1174295-54-5
C22H28F2O7S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 1.8h; Inert atmosphere;	95%

: 1174295-48-7
C24H34O6S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 8.8h; Inert atmosphere;	95%

: 1174295-49-8
C26H38O7S

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 6.8h; Inert atmosphere;	95%

: 66950-73-0
3-phenylpropyl 1-trifluoromethanesulfonate

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With lithium bromide In [(2)H6]acetone at 20℃; for 2h; Inert atmosphere;	95%

: 122-97-4
3-Phenyl-1-propanol

: 1229444-43-2
4-(diphenylphosphino)-benzyltrimethylammonium bromide

A: 1268610-56-5
Br(1-)*C22H25NOP(1+)

B: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With carbon tetrabromide In 1,2-dichloro-ethane at 60℃; for 2h;	A n/a B 95%

...Expand

: 122-97-4
3-Phenyl-1-propanol

: 1229444-44-3
N-methyl-N-[4-(diphenylphosphino)benzyl]pyrrolidinium bromide

A: 1229444-42-1
Br(1-)*C24H27NOP(1+)

B: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With carbon tetrabromide In 1,2-dichloro-ethane at 40℃; for 2h; Inert atmosphere;	A 93% B 95%

...Expand

: 866942-22-5
2-(3-Phenyl-propoxysulfonyl)-benzoic acid 1,4,7,10,13-pentaoxa-cyclopentadec-2-ylmethyl ester

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With sodium bromide In acetone for 0.37h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Heating;	93%

: 1,3-diisopropyl-2-(3-phenyl-propyl)-isourea

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With N-Bromosuccinimide In tetrahydrofuran at 80℃; for 4.5h;	92%

: 1-(3-phenylpropyl)-5-aza-1-stanna-bicyclo[3.3.3]undecane

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With N-Bromosuccinimide In acetonitrile at 20℃; Inert atmosphere; Sealed tube;	82%

: 100-58-3
phenylmagnesium bromide

: 109-64-8
1,3-dibromo-propane

A: 92-52-4
biphenyl

B: 1081-75-0
1,3-diphenylpropane

C: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With copper(I) bromide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 4h; Product distribution; Heating; Grignard reagent added dropwise to the other reaction partners;	A 3% B 16% C 81%

...Expand

: 122-97-4
3-Phenyl-1-propanol

A: 637-59-2
1-Bromo-3-phenylpropane

B: 104-52-9
phenylpropyl chloride

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide; sodium bromide In dichloromethane at 25℃; for 0.25h;	A 80% B n/a

: 873-49-4
cyclopropylbenzene

: 637-59-2
1-Bromo-3-phenylpropane

Conditions

Conditions	Yield
With boron tribromide; tert-butyl alcohol In dichloromethane at 23℃; for 1h; regioselective reaction;	77%

: 637-59-2
1-Bromo-3-phenylpropane

: 27126-20-1
(3-azidopropyl)benzene

Conditions

Conditions	Yield
With sodium azide In water; acetone at 20℃;	100%
With sodium azide In N,N-dimethyl-formamide at 80℃;	100%
With sodium azide In dimethyl sulfoxide at 20℃;	100%

: 637-59-2
1-Bromo-3-phenylpropane

: 106-45-6
para-thiocresol

: 38644-97-2
(3-phenylpropyl)(p-tolyl)sulfane

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 12h;	100%
With potassium hydroxide
With potassium carbonate In acetone at 45℃;

: 637-59-2
1-Bromo-3-phenylpropane

: 4119-41-9
1-iodo-3-phenylpropan

Conditions

Conditions	Yield
With sodium iodide In acetone for 6h; Reflux;	100%
With sodium iodide In acetone Reflux;	97%
With potassium iodide In acetone for 2h; Reflux;	95%

: 637-59-2
1-Bromo-3-phenylpropane

: 845778-49-6
5-azido-5-deoxy-1,2-O-isopropylidene-3-O-methoxymethyl-β-L-idofuranose

: 763122-34-5
5-azido-5-deoxy-6-O-(3-phenylpropyl)-1,2-O-isopropylidene-3-O-methoxymethyl-β-L-idofuranose

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃;	100%

: 863642-50-6
N-methyl-N-methoxy-2-benzyloxy-4-hexenamide

: 637-59-2
1-Bromo-3-phenylpropane

: 863642-51-7
1-phenyl-5-benzyloxy-7-nonen-4-one

Conditions

Conditions	Yield
Stage #1: 1-Bromo-3-phenylpropane With magnesium In tetrahydrofuran Heating; Stage #2: N-methyl-N-methoxy-2-benzyloxy-4-hexenamide In tetrahydrofuran at 0℃; for 1.5h;	100%

: 637-59-2
1-Bromo-3-phenylpropane

: 25333-42-0
(R)-quinuclidin-3-ol

: (3R)-3-hydroxy-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octane bromide

Conditions

Conditions	Yield
In tetrahydrofuran for 7h; Heating / reflux;	100%

: 616-47-7
1-methyl-1H-imidazole

: 637-59-2
1-Bromo-3-phenylpropane

: 1-methyl-3-(3-phenylpropyl)imidazolium bromide

Conditions

Conditions	Yield
at 140℃; Continuous flow; neat (no solvent);	100%
In acetonitrile for 8h; Reflux;

: 637-59-2
1-Bromo-3-phenylpropane

: 105-34-0
methyl 2-cyanoacetate

: 1202778-95-7
cyano-di(3-phenyl-prop-1-yl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 1-Bromo-3-phenylpropane In methanol Reflux;	100%

: 110-86-1
pyridine

: 637-59-2
1-Bromo-3-phenylpropane

: 53394-58-4
1-(3-phenylpropyl)pyridinium bromide

Conditions

Conditions	Yield
for 24h; Reflux;	100%
In acetonitrile at 70℃; for 31.5h;	84%
at 140℃; Neat (no solvent);
In N,N-dimethyl-formamide at 100℃; for 4h; Sealed tube;

: 637-59-2
1-Bromo-3-phenylpropane

: 802294-64-0
propionic acid

: 143097-60-3
(±)-2-methyl-5-phenylpentanoic acid

Conditions

Conditions	Yield
Stage #1: propionic acid With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -20 - 20℃; for 0.5h; Stage #2: 1-Bromo-3-phenylpropane In tetrahydrofuran; hexane at 0 - 20℃; for 2h;	100%
Stage #1: propionic acid With n-butyllithium; diisopropylamine In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at -20 - 20℃; for 0.5h; Stage #2: 1-Bromo-3-phenylpropane In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at 0 - 20℃; for 2h;	100%
Stage #1: propionic acid With n-butyllithium; diisopropylamine In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at 20℃; for 0.5h; Stage #2: 1-Bromo-3-phenylpropane In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at 0 - 20℃; for 2h;	100%
Stage #1: propionic acid With n-butyllithium; diisopropylamine In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at -20 - 20℃; for 0.5h; Stage #2: 1-Bromo-3-phenylpropane In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane at 0 - 20℃; for 2h;	100%
Stage #1: propionic acid With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at 0 - 20℃; Inert atmosphere; Stage #2: 1-Bromo-3-phenylpropane In tetrahydrofuran; hexane at 0 - 20℃; Inert atmosphere;	62%

: 637-59-2
1-Bromo-3-phenylpropane

: N-(1-(3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl)ethyl)acetamide

: N-(1-(3-(4-(3-phenylpropoxy)phenyl)-1,2,4-oxadiazol-5-yl)ethyl)acetamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl acetamide at 80℃; for 3h;	100%

: 637-59-2
1-Bromo-3-phenylpropane

: 603-35-0
triphenylphosphine

: 7484-37-9
(3-phenylpropyl)triphenylphosphonium bromide

Conditions

Conditions	Yield
at 80℃; for 3h;	99%
In toluene for 50h; Reflux;	92%
In toluene for 62h; Heating;	92%

: 637-59-2
1-Bromo-3-phenylpropane

: 120703-53-9
Bis(trimethylsilyl)methyl-methylether

: 120703-47-1
(4-Methoxy-4,4-bis-trimethylsilanyl-butyl)-benzene

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane	99%
With n-butyllithium 1) hexane, THF, 0 deg C, 20 min, 2a) -78 deg C, 5 min, 2b) 0 deg C, 1 h; Yield given. Multistep reaction;

: 637-59-2
1-Bromo-3-phenylpropane

: 103-65-1
Propylbenzene

Conditions

Conditions	Yield
With LiCrH42LiCl2THF In tetrahydrofuran at 25℃; for 12h;	99%
With indium(III) chloride; sodium tetrahydroborate In acetonitrile at 20℃; for 2h;	95%
With sodium tetrahydroborate; water In methanol at 20℃; for 0.5h;	87%

: 533-58-4
2-Iodophenol

: 637-59-2
1-Bromo-3-phenylpropane

: 939990-21-3
1-iodo-2-(3-phenylpropoxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	99%

: 1201582-46-8
1-(3-hydroxy-2,4-dimethoxy-6-methyl-5-nitrophenyl)ethanone

: 637-59-2
1-Bromo-3-phenylpropane

: 1201582-47-9
1-(2,4-dimethoxy-6-methyl-5-nitro-3-(3-phenylpropoxy)phenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 1-(3-hydroxy-2,4-dimethoxy-6-methyl-5-nitrophenyl)ethanone With sodium hydride In N,N-dimethyl-formamide; oil at 20℃; for 0.25h; Stage #2: 1-Bromo-3-phenylpropane In N,N-dimethyl-formamide; oil at 20℃;	99%

: 637-59-2
1-Bromo-3-phenylpropane

: 106-48-9
4-chloro-phenol

: 1044066-84-3
1-chloro-4-(3-phenylpropoxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	99%

: 637-59-2
1-Bromo-3-phenylpropane

: 621-42-1
meta-hydroxyacetanilide

: N-(3-(3-phenylpropoxy)phenyl)acetamide

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 40℃;	99%

: 637-59-2
1-Bromo-3-phenylpropane

: 171414-16-7
N-(4-methoxybenzyl)-2-nitro-N-(prop-2-yn-1-yl)benzenesulfonamide

: 704892-79-5
N-(4-methoxybenzyl)-N-(3-phenylpropyl)-2-nitrobenzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 1.25h;	99%

: 1126-09-6
4-carbethoxypiperidine

: 637-59-2
1-Bromo-3-phenylpropane

: 21327-50-4
ethyl 1-(3-phenylpropyl)piperidine-4-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 2h;	98.6%
With potassium carbonate In N,N-dimethyl-formamide at 70℃;	87%

: 637-59-2
1-Bromo-3-phenylpropane

: 89987-96-2
1,2-bis(3-phenylpropyl)disulfane

Conditions

Conditions	Yield
With potassium sulfide; nickel(II) chloride hexahydrate; acetylacetone; potassium hydroxide In water; N,N-dimethyl-formamide at 110℃; for 6h;	98%
With potassium 5-methyl-1,3,4-oxadiazole-2-thiolate In water at 40℃; for 1h;	98%
With potassium fluoride on basic alumina; thioacetamide; copper(l) chloride In N,N-dimethyl-formamide at 110℃; for 5h;	95%

: 637-59-2
1-Bromo-3-phenylpropane

: 1068-90-2
2-acetylaminomalonic acid diethyl ester

: 52161-73-6
2-acetylamino-2-(3-phenyl-propyl)malonic acid diethyl ester

Conditions

Conditions	Yield
Stage #1: 2-acetylaminomalonic acid diethyl ester With sodium ethanolate In ethanol at 20℃; for 1.5h; Stage #2: 1-Bromo-3-phenylpropane In ethanol for 16h; Heating;	98%
Stage #1: 2-acetylaminomalonic acid diethyl ester With sodium ethanolate In ethanol at 20℃; for 1.5h; Stage #2: 1-Bromo-3-phenylpropane In ethanol for 16.25h; Heating / reflux;	98%
(i) Na, EtOH, (ii) /BRN= 2205527/; Multistep reaction;
With sodium ethanolate; sodium In ethanol; nitrogen
Stage #1: 2-acetylaminomalonic acid diethyl ester With sodium ethanolate In ethanol at 20℃; for 2h; Stage #2: 1-Bromo-3-phenylpropane In ethanol at 20 - 73℃; for 28.25h;

: 67-56-1
methanol

: 637-59-2
1-Bromo-3-phenylpropane

: 2046-33-5
3-methoxypropylbenzene

Conditions

Conditions	Yield
With silver tetrafluoroborate; 1-(2-bromo-1,1-dimethoxyethyl)benzene at 25℃; for 4h;	98%
With sodium for 2h; Heating;	51 g
With sodium

: 637-59-2
1-Bromo-3-phenylpropane

: 625-36-5
2-chloropropionyl chloride

: 253308-01-9
1-(3-chloro-1-oxopropyl)-4-(3-bromopropyl)benzene

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane at 20℃; for 6h; Friedel-Crafts acylation;	98%

: 637-59-2
1-Bromo-3-phenylpropane

: 609-08-5
Diethyl methylmalonate

: 98468-72-5
diethyl methyl(3-phenylpropyl)malonate

Conditions

Conditions	Yield
Stage #1: Diethyl methylmalonate With lithium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 1-Bromo-3-phenylpropane In N,N-dimethyl-formamide at 80℃; for 3h;	98%

: 288-32-4
1H-imidazole

: 637-59-2
1-Bromo-3-phenylpropane

: 56643-92-6
1-(3-phenylpropyl)-1H-imidazole

Conditions

Conditions	Yield
Stage #1: 1H-imidazole With sodium hydroxide In dimethyl sulfoxide at 70 - 80℃; for 1.5h; Stage #2: 1-Bromo-3-phenylpropane In dimethyl sulfoxide at 70 - 80℃; for 13h;	98%
Stage #1: 1H-imidazole With potassium carbonate In tetrahydrofuran at 20℃; for 0.166667h; Stage #2: 1-Bromo-3-phenylpropane In tetrahydrofuran Heating;
In N,N-dimethyl-formamide	16.1 g (86%)

1-Bromo-3-phenylpropane Specification

The Benzene,(3-bromopropyl)-, with CAS registry number 637-59-2, belongs to the following product category: Bromine Compounds. It has the systematic name of (3-bromopropyl)benzene. This chemical is a kind of colorless to light yellow liquid. The main use of this chemical is for organic synthesis.What's more, its EINECS is 211-294-7.

Physical properties of Benzene,(3-bromopropyl)-: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 394.87; (6)ACD/BCF (pH 7.4): 394.87; (7)ACD/KOC (pH 5.5): 2512.75; (8)ACD/KOC (pH 7.4): 2512.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 48.16 cm³; (15)Molar Volume: 151.9 cm³; (16)Polarizability: 19.09×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 101.7 °C; (20)Enthalpy of Vaporization: 43.8 kJ/mol; (21)Boiling Point: 220.2 °C at 760 mmHg; (22)Vapour Pressure: 0.17 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-phenyl-propan-1-ol. This reaction will need reagent hydrobromic acid.

Uses of Benzene,(3-bromopropyl)-: it can be used to produce 1-(3-bromo-propyl)-4-nitro-benzene. This reaction will need reagents HNO₃, H₂SO₄. The reaction time is 30 min with reaction temperature of 50 ℃. The yield is about 38.9%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,(3-bromopropyl)- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCc1ccccc1
(2)InChI: InChI=1/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(3)InChIKey: XMZQWZJMTBCUFT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
(5)Std. InChIKey: XMZQWZJMTBCUFT-UHFFFAOYSA-N

Product Name

1-Bromo-3-phenylpropane

Synthetic route

1-Bromo-3-phenylpropane Specification

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