4-Methylbenzyl bromide supplier

Name
4-Methylbenzyl bromide
EINECS 203-240-6
CAS No. 104-81-4
Article Data131
CAS DataBase
Density 1.368 g/cm³
Solubility Practically insoluble in water
Melting Point 34-36 °C(lit.)
Formula C₈H₉Br
Boiling Point 225 °C at 760 mmHg
Molecular Weight 185.063
Flash Point 97.8 °C
Transport Information UN 3417 6.1/PG 2
Appearance White to pale yellow solid
Safety 26-36/37/39-45
Risk Codes 34-20/21/22
Molecular Structure
Hazard Symbols C
Synonyms p-Methylbenzyl bromide;p-Xylylbromide;p-Xylyl a-bromide;a-Bromo-p-xylene;a-Bromo-p-xylol;p-Xylene, a-bromo- (6CI,7CI,8CI);1-(Bromomethyl)-4-methylbenzene;4-(Bromomethyl)toluene;4-Methylbenzylbromide;NSC 8050;p-(Bromomethyl)toluene;
PSA 0.00000
LogP 2.88990

Synthetic route

: 589-18-4
4-Methylbenzyl alcohol

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With phosphorus tribromide In benzene at 20℃;	100%
With phosphorus tribromide In dichloromethane at 0℃; for 1h;	99%
With phosphorus tribromide In dichloromethane at 0℃; for 1h;	99%

: 104-87-0
4-methyl-benzaldehyde

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With polymethylhydrosiloxane; dimethylbromosulphonium bromide In chloroform at 20℃; for 4h;	96%
With triethylsilane; trimethylsilyl bromide In acetic acid methyl ester at 20℃; for 1h;	95%
With Dichloromethylsilane; phosphorus tribromide; iron(III) chloride In acetonitrile for 5h; Heating;	90%

: 106-42-3
para-xylene

A: 623-24-5
1,4-bis(bromomethyl)benzene

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With sodium bromate; sodium hydrogensulfite In water; ethyl acetate at 20℃; for 4h; Bromination;	A 70% B 6%
With N-Bromosuccinimide In water at 25℃; for 22h; Wohl-Ziegler bromination;	A 3% B 66%
With hydrogen bromide; dihydrogen peroxide In water at 20℃; Irradiation;	A 10% B 62%

: 106-42-3
para-xylene

A: 553-94-6
4-bromo-m-xylene

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With sodium bromate; sodium hydrogensulfite In water; acetonitrile at 20℃; for 4h; Bromination;	A 62% B n/a
With bromine; bentonite In carbon disulfide for 4h; Heating;	A 50% B 30%
With N-Bromosuccinimide In methanol at 150℃; under 2625.26 Torr; for 0.0666667h; microwave irradiation;	A 27 % Chromat. B 32 % Chromat.
With hydrogen bromide; dihydrogen peroxide In water at 20℃; for 24h; Darkness;	A 66 %Spectr. B 14 %Spectr.
With N-Bromosuccinimide; silver hexafluoroantimonate; adamantan-1-yl(methyl)sulfane In 1,2-dichloro-ethane at 20℃; for 1h; Inert atmosphere; Schlenk technique;	A 50 %Chromat. B 20 %Chromat.

: 106-42-3
para-xylene

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With bromine In tetrachloromethane Solvent;	100%
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; silica gel for 4.5h; UV-irradiation;	84%
With bromine In tetrachloromethane for 1.5h; Ambient temperature;	83%

: 622-47-9
4-tolylacetic acid

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With Ag(Phen)2OTf; dibromoisocyanuric acid In 1,2-dichloro-ethane at 20℃; for 1h; Inert atmosphere; Schlenk technique;	80%

: diethyl 2,6-dimethyl-4-(4-methylbenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate; sodium bromide In water; acetonitrile at 20℃; for 24h; Sealed tube; Inert atmosphere; Irradiation; regioselective reaction;	82%

: 3395-83-3
4-methylbenzaldehyde dimethylacetal

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With triethylsilane; Acetyl bromide; tin(II) bromide In dichloromethane for 3h; Ambient temperature;	86%

: 108-88-3
toluene

: 74-95-3
1,2-dibromomethane

A: 104-81-4
4-Methylbenzyl bromide

B: 89-92-9
2-methylbenzyl bromide

Conditions

Conditions	Yield
Stage #1: toluene With sodium hydride In N,N-dimethyl-formamide at 20℃; Stage #2: 1,2-dibromomethane In N,N-dimethyl-formamide at 60℃; for 2h;

...Expand

: 104-87-0
4-methyl-benzaldehyde

A: 74597-04-9
m-hydroxybenzyl bromide

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With chloro-trimethyl-silane; 1,1,3,3-Tetramethyldisiloxane; lithium bromide In acetonitrile at 80℃; for 0.333333h;	A 77 % Spectr. B 97%

: 71017-67-9
1-(4-Methyl-benzyl)-2,4,6-triphenyl-pyridinium; bromide

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With 2,4,6-triphenylpyridine at 180 - 220℃; under 0.5 - 2 Torr;	80%

: 76192-19-3
1-(4-Methyl-benzyl)-2,3,4,5,6-pentaphenyl-pyridinium; bromide

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With 2,4,6-triphenylpyridine at 180 - 220℃; under 0.5 - 2 Torr;	74%

: 76192-16-0
4-(4-Chloro-phenyl)-1-(4-methyl-benzyl)-2,3,5,6-tetraphenyl-pyridinium; bromide

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With 2,4,6-triphenylpyridine at 180 - 220℃; under 0.5 - 1.5 Torr;	72%

: 50-00-0
formaldehyd

: 108-88-3
toluene

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid for 7h; bromomethylation; Irradiation;	87%
With sulfuric acid; acetic acid; sodium bromide

: 92565-77-0
4-methyl-1-(methoxymethoxy)methyl benzene

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With tetrabutylammomium bromide; 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.075h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	83%

: 93306-62-8
4-methyl-1-(ethoxymethoxy)methyl benzene

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With tetrabutylammomium bromide; 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.075h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	84%

: 99-94-5
p-Toluic acid

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: dimethyl sulfate; acetone; potassium carbonate / 4 h / Reflux 1.2: 0 - 20 °C 2.1: phosphorus tribromide / dichloromethane / 0 - 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / acetone / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere; Cooling with ice 3: phosphorus tribromide / dichloromethane / 4 h / Cooling with ice; Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / acetone / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C 3: phosphorus tribromide / dichloromethane / 0 - 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / acetone / 4 h / Reflux 2: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere 3: phosphorus tribromide / dichloromethane / 4 h / Inert atmosphere; Cooling with ice View Scheme
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 26 h / 0 °C / Reflux 2: phosphorus tribromide / diethyl ether / 24 h / 0 - 20 °C View Scheme

: 99-75-2
4-methyl-benzoic acid methyl ester

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere; Cooling with ice 2: phosphorus tribromide / dichloromethane / 4 h / Cooling with ice; Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C 2: phosphorus tribromide / dichloromethane / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C 2: phosphorus tribromide / dichloromethane / 1 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 20 °C / Inert atmosphere 2: phosphorus tribromide / dichloromethane / 4 h / Inert atmosphere; Cooling with ice View Scheme

: 106-42-3
para-xylene

A: 553-94-6
4-bromo-m-xylene

B: 1074-24-4
2,5-dibromo-p-xylene

C: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With bromine; acetic acid	A 77% B 10% C 13%
With bromine	A 48% B n/a C n/a

...Expand

: 75-62-7
Bromotrichloromethane

<4-MeC6H4CH2Co(dmgH)2Py>: <4-MeC6H4CH2Co(dmgH)2Py>

A: 2201-10-7
1-(2,2,2-trichloroethyl)-4-methylbenzene

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With 1H-imidazole In chloroform at 70℃; for 1h; Title compound not separated from byproducts;

...Expand

: 67-56-1
methanol

: 106-42-3
para-xylene

A: 3395-88-8
4-methylbenzyl methyl ether

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With sodium periodate; sulfuric acid; lithium bromide at 65℃; for 24h;	A 30% B 45%

...Expand

: 42969-66-4
2-(1-ethynyl-cyclohexyloxy)-tetrahydro-pyran

: 589-18-4
4-Methylbenzyl alcohol

A: 18484-04-3
2-((4-methylbenzyl)oxy)tetrahydro-2H-pyran

B: 78-27-3
1-Ethynyl-1-cyclohexanol

C: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With gold(III) tribromide In acetonitrile at 25℃; for 12h;

...Expand

: 4484-74-6
4-methylbenzyl iodide

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With pyridine; tributyltin bromide at 50℃; Thermodynamic data; Δ G;

: 96928-04-0
1-(4-Methyl-benzyl)-2-(2-oxo-2-phenyl-ethylsulfanyl)-4,6-diphenyl-pyridinium; bromide

A: 96938-17-9
4,6-diphenyl-2-phenacylthiopyridine

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
at 160℃; under 1 Torr;

: 96928-05-1
2-[2-(4-Bromo-phenyl)-2-oxo-ethylsulfanyl]-1-(4-methyl-benzyl)-4,6-diphenyl-pyridinium; bromide

A: 1-(4-Bromo-phenyl)-2-(4,6-diphenyl-pyridin-2-ylsulfanyl)-ethanone

B: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
at 160℃; under 1 Torr;

: 104-82-5
4-Methylbenzyl chloride

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
With pyridine; tributyltin bromide at 50℃; Thermodynamic data; Equilibrium constant; Δ G;

: 106-42-3
para-xylene

A: 104-81-4
4-Methylbenzyl bromide

B p-xylylidene dibromide: p-xylylidene dibromide

Conditions

Conditions	Yield
With bromine at 130℃; man trennt durch Destillation;

: 104-84-7
para-methylbenzylamine

higher-melting α.α'-dibromo-pimelic acid diethyl ester: higher-melting α.α'-dibromo-pimelic acid diethyl ester

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 74 percent / CH2Cl2 / 6 h / 25 °C 2: 80 percent / 2,4,6-triphenylpyridine / 180 - 220 °C / 0.5 - 2 Torr View Scheme

: 116279-45-9
2-Benzylselanyl-cyclopent-2-enone

A: 104-81-4
4-Methylbenzyl bromide

: 116279-47-1
(2R,3S)-2-Benzylselanyl-3-methyl-2-(4-methyl-benzyl)-cyclopentanone

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium dimethylcuprate 1.) THF, -78 deg C, 40 min, 2.) RT, 17 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

: 76950-85-1
1-(4-Methyl-benzyl)-4,6-diphenyl-1H-pyridine-2-thione

: 104-81-4
4-Methylbenzyl bromide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / benzene / 5 h / Ambient temperature 2: 160 °C / 1 Torr View Scheme
Multi-step reaction with 4 steps 1: 94 percent / benzene / 5 h / Ambient temperature 2: methanol / 2 h / Heating 3: 92 percent / benzene / 5 h / Ambient temperature 4: 160 °C / 1 Torr View Scheme
Multi-step reaction with 2 steps 1: 94 percent / benzene / 5 h / Ambient temperature 2: 160 °C / 1 Torr View Scheme

: 104-81-4
4-Methylbenzyl bromide

: 75-50-3
trimethylamine

: 16814-21-4
(4-methylbenzyl)trimethylammonium bromide

Conditions

Conditions	Yield
In diethyl ether at 0 - 20℃;	100%
In tetrahydrofuran; ethanol at 25℃; for 24h; Inert atmosphere;	99%

: 104-81-4
4-Methylbenzyl bromide

: 538-39-6
1,2-di-p-tolylethane

Conditions

Conditions	Yield
With tetrabutylammomium bromide; urea; potassium hydroxide Electrolysis; Inert atmosphere;	100%
With Wilkinson's catalyst; dimethyl zinc(II) In tetrahydrofuran; hexane at 20℃; for 1h;	97%
With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium; nickel dichloride In tetrahydrofuran for 8h; Inert atmosphere; Reflux;	96%

: 104-81-4
4-Methylbenzyl bromide

: 17271-89-5
4-methylphenylmethylazide

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide at 80℃;	100%
With sodium azide In dimethyl sulfoxide at 80℃;	100%
With sodium azide In N,N-dimethyl-formamide at 65℃; for 4h;	99%

: 688-71-1
tri-n-propyl borate

: 201230-82-2
carbon monoxide

: 104-81-4
4-Methylbenzyl bromide

: 93578-98-4
p-Tolyl-acetic acid propyl ester

Conditions

Conditions	Yield
1,5-hexadienerhodium(I)-chloride dimer at 75℃; under 760 Torr; Heating; overnight; other solvent;	100%

...Expand

: 104-81-4
4-Methylbenzyl bromide

: 122-52-1
triethyl phosphite

: 3762-25-2
diethyl 4-methylbenzylphosphonate

Conditions

Conditions	Yield
at 140℃;	100%
for 20h; Reflux; Inert atmosphere;	94%
at 200℃; for 1h;	82%

: 104-81-4
4-Methylbenzyl bromide

: 245364-65-2
2-(4-fluoro-benzenesulfonylamino)-3-methyl-butyric acid tert-butyl ester

: 245364-85-6
2-[(4-fluoro-benzenesulfonyl)-(4-methyl-benzyl)-amino]-3-methyl-butyric acid tert-butyl ester

Conditions

Conditions	Yield
With polystyrene-bound 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In dichloromethane	100%

: 104-81-4
4-Methylbenzyl bromide

: 245364-63-0
(3-trifluoromethyl-benzenesulfonylamino)-acetic acid tert-butyl ester

: 245364-75-4
[(4-methyl-benzyl)-(3-trifluoromethyl-benzenesulfonyl)-amino]-acetic acid tert-butyl ester

Conditions

Conditions	Yield
With polystyrene-bound 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In dichloromethane	100%

: 104-81-4
4-Methylbenzyl bromide

: 245364-64-1
3-methyl-2-(3-trifluoromethyl-benzenesulfonylamino)-butyric acid tert-butyl ester

: 245364-84-5
3-methyl-2-[(4-methyl-benzyl)-(3-trifluoromethyl-benzenesulfonyl)-amino]-butyric acid tert-butyl ester

Conditions

Conditions	Yield
With polystyrene-bound 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In dichloromethane	100%

: 104-81-4
4-Methylbenzyl bromide

: 245364-67-4
2-(4-fluoro-benzenesulfonylamino)-3-phenyl-propionic acid tert-butyl ester

: 245364-96-9
2-[(4-fluoro-benzenesulfonyl)-(4-methyl-benzyl)-amino]-3-phenyl-propionic acid tert-butyl ester

Conditions

Conditions	Yield
With polystyrene-bound 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In dichloromethane	100%

: 104-81-4
4-Methylbenzyl bromide

: 245364-66-3
3-phenyl-2-(3-trifluoromethyl-benzenesulfonylamino)-propionic acid tert-butyl ester

: 245364-95-8
2-[(4-methyl-benzyl)-(3-trifluoromethyl-benzenesulfonyl)-amino]-3-phenyl-propionic acid tert-butyl ester

Conditions

Conditions	Yield
With polystyrene-bound 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In dichloromethane	100%

: 104-81-4
4-Methylbenzyl bromide

: 433211-61-1
C20H17NO3S2

: 1-[5-benzoyl-4-ethoxycarbonylmethyl-2-(4-methyl-benzylsulfanyl)-thiophen-3-yl]-pyridinium; bromide

Conditions

Conditions	Yield
	100%
In chloroform at 20℃;

: 104-81-4
4-Methylbenzyl bromide

: 433211-65-5
C21H19NO3S2

: 1-[5-benzoyl-4-ethoxycarbonylmethyl-2-(4-methyl-benzylsulfanyl)-thiophen-3-yl]-4-methyl-pyridinium; bromide

Conditions

Conditions	Yield
	100%
In chloroform at 20℃;

: 104-81-4
4-Methylbenzyl bromide

: 427888-22-0
(1S)-2-benzyl-1-methyl-1,3,4,6-tetrahydro-2H-pyrazino[2,1-b]quinazoline-3,6-dione

: (1S)-2-benzyl-1-methyl-4,4-bis(4-methylbenzyl)-1,3,4,6-tetrahydro-2H-pyrazino[2,1-b]quinazoline-3,6-dione

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In tetrahydrofuran at -78 - 0℃; for 0.383333h;	100%

: 104-81-4
4-Methylbenzyl bromide

: 352207-48-8
(1R)-7,7-dimethyl-1-[(3S)-2-thiabicyclo[2.2.1]hept-3-yl]bicyclo[2.2.1]heptan-2-one

: (1S,3S,4R)-2-(4-methylphenylmethyl)-3-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-2-thioniabicyclo[2.2.1]heptane tetrafluoroborate

Conditions

Conditions	Yield
With silver tetrafluoroborate In dichloromethane at 20℃; for 48h;	100%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 104-81-4
4-Methylbenzyl bromide

: 23786-13-2
methyl p-tolylacetate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; C44H39IOP2Pd; triphenylphosphine at 60℃; for 2h; Conversion of starting material;	100%

...Expand

: 104-81-4
4-Methylbenzyl bromide

: 100-01-6
4-nitro-aniline

: 1032373-70-8
bis(4-methylbenzyl)(4-nitrophenyl)amine

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere;	100%

: 108-98-5
thiophenol

: 104-81-4
4-Methylbenzyl bromide

: 5023-65-4
4-methylbenzyl phenyl sulfide

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Reflux; Inert atmosphere;	100%
With silica gel In water at 20℃; for 1h;	92%
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 5h;	92%
With potassium carbonate

: 104-81-4
4-Methylbenzyl bromide

: 105-34-0
methyl 2-cyanoacetate

: 1202778-97-9
cyano-di(4-methyl-benzyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 2-cyanoacetate With sodium methylate In methanol at 20℃; Stage #2: 4-Methylbenzyl bromide In methanol Reflux;	100%

: 1228692-98-5
tert-butyl (3-perfluorooctyl)propoxycarbamate

: 104-81-4
4-Methylbenzyl bromide

: 1228693-02-4
C24H24F17NO3

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 45℃; for 2h;	100%

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

: 104-81-4
4-Methylbenzyl bromide

: 2Br(1-)*C32H36NP(2+)

Conditions

Conditions	Yield
In dichloromethane at 0 - 40℃; for 24h; Inert atmosphere;	100%

: 1314917-55-9
1-hydroxy-3,6,7-tris(methoxymethoxy)-9H-xanthen-9-one

: 104-81-4
4-Methylbenzyl bromide

: 1314917-78-6
C27H28O9

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	100%

: 1313585-45-3
tert-butyl 4-(2-perfluoroctylethyl)benzyloxycarbamate

: 104-81-4
4-Methylbenzyl bromide

: 1313585-50-0
tert-butyl (4-methylbenzyl)(4-(2-perfluoroctylethyl)benzyloxy)carbamate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 45℃; for 3h;	100%

: 104-81-4
4-Methylbenzyl bromide

: 536-74-3
phenylacetylene

: 126800-02-0
1-(4-methylbenzyl)-4-phenyl-1H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide; C31H38ClCuN2 In water at 20℃; for 2h; Reagent/catalyst; Huisgen Cycloaddition;	100%
With sodium azide; sodium ascorbate In water; tert-butyl alcohol at 50℃; for 2.5h;	98%
With sodium azide; C46H64CuN2O8Si2 In water at 25℃; for 1h; Reagent/catalyst;	98%

: 104-81-4
4-Methylbenzyl bromide

: 109-77-3
malononitrile

: 2,2-Bis-(4-methyl-benzyl)-malononitrile

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 80℃; for 2h; Inert atmosphere;	100%

: 1043429-41-9
6-hydroxy-7-methoxy-2-methylisoquinolin-1(2H)-one

: 104-81-4
4-Methylbenzyl bromide

: 7-methoxy-2-methyl-6-(4-methylbenzyloxy)-isoquinolin-1(2H)-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	100%

: 104-81-4
4-Methylbenzyl bromide

: 269409-70-3
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

: C20H25BO3

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃; for 18h;	100%

: 82380-18-5
2-fluoro-4-hydroxybenzonitrile

: 104-81-4
4-Methylbenzyl bromide

: 2-fluoro-4-[(4-methylphenyl)methoxy]benzonitrile

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 100℃; for 1.5h; Sealed tube; Inert atmosphere;	100%

: methyl 3-chloro-1H-indole-4-carboxylate

: 104-81-4
4-Methylbenzyl bromide

: C18H16ClNO2

Conditions

Conditions	Yield
With sodium hydride at 0℃; for 5h;	100%

4-Methylbenzyl bromide Specification

The IUPAC name of p-Methylbenzyl bromide is 1-(bromomethyl)-4-methylbenzene. With the CAS registry number 104-81-4, it is also named as p-Xylyl bromide. The product's categorie is benzyl. It is white to pale yellow solid which is soluble in acetone and ether. In addition, this chemical is volatile and hydrolysis. It 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: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 217.83; (6)ACD/BCF (pH 7.4): 217.83; (7)ACD/KOC (pH 5.5): 1641.46; (8)ACD/KOC (pH 7.4): 1641.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 43.72 cm³; (14)Molar Volume: 135.2 cm³; (15)Polarizability: 17.33×10^-24 cm³; (16)Surface Tension: 37.1 dyne/cm; (17)Enthalpy of Vaporization: 44.27 kJ/mol; (18)Vapour Pressure: 0.132 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 183.988763; (21)MonoIsotopic Mass: 183.988763; (22)Heavy Atom Count: 9; (23)Complexity: 72.6.

Preparation of p-Methylbenzyl bromide: It can be obtained by the reaction of p-xylene and bromine. Heating p-xylene to 120 °C, adding bromine in bright light and stirring. After the reaction, remove hydrogen bromide. The reaction products are vacuum distillation after drying, then we can get the p-Methylbenzyl bromide.

Uses of p-Methylbenzyl bromide: It is used in organic synthesis. For example: It can react with 2,3-dihydro-indole to get 1-(4-methyl-benzyl)-2,3-dihydro-1H-indole. The yield is 65%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it can cause burns. 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 protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:BrCc1ccc(cc1)C
2. InChI:InChI=1/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
3. InChIKey:WZRKSPFYXUXINF-UHFFFAOYAN

Product Name

4-Methylbenzyl bromide

Synthetic route

4-Methylbenzyl bromide Specification

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