1-Bromo-4-tert-butylbenzene supplier

Name
1-Bromo-4-tert-butylbenzene
EINECS 223-599-2
CAS No. 3972-65-4
Article Data61
CAS DataBase
Density 1.236 g/cm³
Solubility Insoluble in water.
Melting Point 13-16 °C(lit.)
Formula C₁₀H₁₃Br
Boiling Point 232 °C at 760 mmHg
Molecular Weight 213.117
Flash Point 97.2 °C
Transport Information
Appearance clear colorless to slightly yellow liquid
Safety 23-24/25-37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,1-bromo-4-tert-butyl- (6CI,7CI,8CI);1-Bromo-4-(1,1-dimethylethyl)benzene;1-Bromo-4-t-butylbenzene;1-tert-Butyl-4-bromobenzene;4-Bromo-tert-butylbenzene;4-tert-Butyl-1-bromobenzene;4-tert-Butylbromobenzene;4-tert-Butylphenylbromide;B 1727;NSC 43038;p-Bromo-tert-butylbenzene;p-tert-Butylbromobenzene;
PSA 0.00000
LogP 3.74660

Synthetic route

: 253185-03-4, 253185-04-5
tert-butylbenzene

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With bromine; iodine at 0℃;	100%
With carbon dioxide; bromine at 40℃; under 187519 Torr; for 2h; Supercritical conditions; Green chemistry;	100%
With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride In acetic acid at 70℃; for 2h;	95%

: 99-90-1
para-bromoacetophenone

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
	97%

: 214360-66-4
2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With copper(ll) bromide In methanol Heating;	96%

: 108-86-1
bromobenzene

: 15512-06-8
3,6-di-tert-butylbenzene-1,2-diol

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With sulfuric acid	90%

: 402-43-7
p-trifluoromethylphenyl bromide

: 75-24-1
trimethylaluminum

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
In hexane; 1,2-dichloro-ethane at 25 - 50℃; Inert atmosphere;	89%

: 108-86-1
bromobenzene

: 3282-30-2
pivaloyl chloride

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 30314-45-5
1-(4-bromophenyl)-2,2-dimethylpropan-1-one

Conditions

Conditions	Yield
With iodine for 0.166667h; Ambient temperature; Irradiation;	A 8% B 87%
With iron(III) sulfate In hexane at 20℃; for 0.75h; Friedel-Crafts acylation; Sonication;	A 8% B 72%
With aluminium trichloride In hexane for 0.166667h; Ambient temperature; Irradiation;	A 25% B 50%

...Expand

: 154318-75-9
4-tert-butylphenyl triflate

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With [Cp*Ru(CH3CN)3]OTf; lithium bromide at 120℃; for 48h; Inert atmosphere;	87%
Multi-step reaction with 2 steps 1: 86 percent / Et3N / PdCl2(dppf) / dioxane / Heating 2: 96 percent / aq. CuBr2 / methanol / Heating View Scheme

: potassium (4-tert-butyl)phenyltrifluoroborate

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction;	86%
With tetra-N-butylammonium tribromide In tetrahydrofuran; water at 20℃; for 0.333333h; chemoselective reaction;	86%

: 176780-03-3, 164927-39-3
(P(o-tol)3)2Pd2(C6H4tBu-4)2Br2

: 13716-12-6
tri-tert-butyl phosphine

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; K(eq) = 3.3(6)E-4;	A n/a B 75%

...Expand

: 108-86-1
bromobenzene

: 3282-30-2
pivaloyl chloride

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 61593-14-4
1-(2-bromophenyl)-2,2-dimethyl-propan-1-one

C: 30314-45-5
1-(4-bromophenyl)-2,2-dimethylpropan-1-one

Conditions

Conditions	Yield
With iodine for 6h; Ambient temperature;	A 64% B 6% C 17%
With aluminium trichloride In hexane for 5h; Ambient temperature;	A 42% B 5% C 12%

...Expand

: 108-86-1
bromobenzene

: 507-19-7
t-butyl bromide

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With o-tetrachloroquinone; C16H21IMoO3 In 1,2-dichloro-ethane at 80℃; for 12h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique; Green chemistry; regioselective reaction;	21.3%

: 769-92-6
4-tert-Butylaniline

: 106-95-6
allyl bromide

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 27798-45-4
1-allyl-4-(tert-butyl)benzene

Conditions

Conditions	Yield
With tert.-butylnitrite In acetonitrile at 45 - 50℃; for 1.33h;	A n/a B 19%

...Expand

: 108-86-1
bromobenzene

: 507-20-0
tertiary butyl chloride

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With o-tetrachloroquinone; C16H21IMoO3 In 1,2-dichloro-ethane at 80℃; for 12h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique; Green chemistry; regioselective reaction;	17.2%
(i) AlCl3, MeNO2, (ii) /BRN= 1730872/; Multistep reaction;

: 108-86-1
bromobenzene

: 78-83-1
2-methyl-propan-1-ol

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With phosphoric acid at 160 - 170℃;

: 253185-03-4, 253185-04-5
tert-butylbenzene

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 7073-99-6
2-tert-butylbromobenzene

Conditions

Conditions	Yield
With thallium (III) oxide; trifluoroacetic acid; potassium bromide at 20℃; for 6h;
With bromine In hexane at 25℃; for 0.0333333h; Darkness;
With bromine; iodine

: 1012-72-2
1,4-di-tert-butylbenzene

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With tetrachloromethane; bromine; iron

: 108-86-1
bromobenzene

: 513-36-0
isobutyryl chloride

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With aluminium trichloride

: 108-86-1
bromobenzene

: 75-65-0
tert-butyl alcohol

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With chlorosulfonic acid

: 253185-03-4, 253185-04-5
tert-butylbenzene

: 7726-95-6
bromine

: 64-19-7
acetic acid

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 3972-64-3
1-bromo-3-(tertbutyl)benzene

C: 7073-99-6
2-tert-butylbromobenzene

Conditions

Conditions	Yield
at 25℃; Kinetics;

...Expand

: 7601-90-3
perchloric acid

: 253185-03-4, 253185-04-5
tert-butylbenzene

hypobromous acid: hypobromous acid

aqueous dioxane: aqueous dioxane

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 3972-64-3
1-bromo-3-(tertbutyl)benzene

C: 7073-99-6
2-tert-butylbromobenzene

Conditions

Conditions	Yield
at 25℃; Kinetics;

...Expand

: 253185-03-4, 253185-04-5
tert-butylbenzene

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 1014-60-4
1,3-di-tert-butylbenzene

C: 3972-64-3
1-bromo-3-(tertbutyl)benzene

D: 7073-99-6
2-tert-butylbromobenzene

E HBr: HBr

Conditions

Conditions	Yield
With bromine at 25℃; for 20h; Irradiation; Yield given;

...Expand

: 98-54-4
para-tert-butylphenol

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 98 percent / pyridine / CH2Cl2 / 0.25 h / 0 °C 2: 86 percent / Et3N / PdCl2(dppf) / dioxane / Heating 3: 96 percent / aq. CuBr2 / methanol / Heating View Scheme

: 71-43-2
benzene

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: H2SO4 2: AlCl3 / 45 °C 3: iron-turnings; tetrachloromethane; bromine View Scheme
Multi-step reaction with 3 steps 1: aqueous H2SO4 2: AlCl3 / 45 °C 3: iron-turnings; tetrachloromethane; bromine View Scheme
Multi-step reaction with 2 steps 1: aqueous H2SO4 2: iron-turnings; tetrachloromethane; bromine View Scheme
Multi-step reaction with 2 steps 1: AlCl3 / 15 - 22 °C 2: iron-turnings; tetrachloromethane; bromine View Scheme
Multi-step reaction with 2 steps 1: HCl; AlCl3 / 60 °C / Einleiten von Isobutylen 2: iron-turnings; tetrachloromethane; bromine View Scheme

: 87199-16-4
3-Formylphenylboronic acid

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 52436-75-6
(4-tert-butylphenyl)diazonium tetrafluoroborate

A: 253185-03-4, 253185-04-5
tert-butylbenzene

B: 3972-65-4
1-bromo-4-tert-butylbenzene

C: 701-30-4
1-tert-butyl-4-fluorobenzene

Conditions

Conditions	Yield
With trimethylsilyl bromide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 20℃;	A 9 % Chromat. B 31 % Chromat. C 42 % Chromat.

...Expand

: 108-86-1
bromobenzene

: 507-19-7
t-butyl bromide

A: 3972-65-4
1-bromo-4-tert-butylbenzene

B: 7073-99-6
2-tert-butylbromobenzene

Conditions

Conditions	Yield
With o-tetrachloroquinone; C16H21IMoO3 In 1,2-dichloro-ethane at 80℃; for 12h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique; Green chemistry; Overall yield = 25.1 %; regioselective reaction;

...Expand

: 769-92-6
4-tert-Butylaniline

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
Stage #1: 4-tert-Butylaniline With hydrogenchloride; tert.-butylnitrite In methanol; diethyl ether; N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: With Bromotrichloromethane; tetrabutylammonium perchlorate In methanol; diethyl ether; N,N-dimethyl-formamide at 20℃; for 3h; Sandmeyer Reaction; Electrochemical reaction;	53 %Chromat.

: bis(4-fluorophenyl)methanone O-(4-(tert-butyl)benzoyl) oxime

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
With Bromotrichloromethane; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In ethyl acetate for 12h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Irradiation;	74 %Chromat.

: 98-73-7
4-(1,1-dimethylethyl)benzoic acid

: 3972-65-4
1-bromo-4-tert-butylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C / Inert atmosphere; Schlenk technique 2: [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; Bromotrichloromethane / ethyl acetate / 12 h / Schlenk technique; Inert atmosphere; Irradiation View Scheme

Yield

Multi-step reaction with 2 steps
1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C / Inert atmosphere; Schlenk technique
2: [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; Bromotrichloromethane / ethyl acetate / 12 h / Schlenk technique; Inert atmosphere; Irradiation
View Scheme

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 16419-60-6
2-Methylphenylboronic acid

: 2-methyl-4'-tert-butylbiphenyl

Conditions

Conditions	Yield
With potassium phosphate; palladium-incarcerated polystyrene-based copolymer; tris(o-methoxyphenyl)phosphine In water; toluene for 2h; Suzuki-Miyaura coupling; Heating;	100%
With C25H29N3; potassium carbonate; palladium dichloride In water; N,N-dimethyl-formamide at 90℃; for 2h; Suzuki-Miyaura Coupling;	99%
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate In toluene at 110℃; for 1.5h; Suzuki-Miyaura reaction;	98%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 98-80-6
phenylboronic acid

: 1625-92-9
4-tert-butylbiphenyl

Conditions

Conditions	Yield
With potassium phosphate; phosphinated polymer incarcerated palladium catalyst In water; toluene for 4h; Suzuki-Miyaura coupling; Heating;	100%
With potassium carbonate In water; isopropyl alcohol at 100℃; for 10h; Catalytic behavior; Suzuki-Miyaura Coupling; Inert atmosphere;	100%
With potassium carbonate In water; isopropyl alcohol at 100℃; for 10h; Suzuki-Miyaura Coupling; Inert atmosphere;	99%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 122-39-4
diphenylamine

: 36809-23-1
N,N-diphenyl-N-(4-tert-butylphenyl)amine

Conditions

Conditions	Yield
With bis(tri-t-butylphosphine)palladium(0); potassium tert-butylate In toluene at 20℃; for 4h;	100%
With palladium diacetate; P(i-BuNCH2CH2)3N; sodium t-butanolate In toluene at 80℃;	96%
for 3h;	96%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: [(4-(2,2'-bithiophenyl-5-yl)phenyl)-p-tolyl]amine

: [(4-(2,2'-bithiophenyl-5-yl)phenyl)-(4-tert-butylphenyl)-p-tolyl]amine

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene for 12h;	99.7%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: [(4-(2,2'-bithiophenyl-5-yl)phenyl)-(4-methoxyphenyl)]amine

: [(4-(2,2'-bithiophenyl-5-yl)phenyl)-(4-tert-butylphenyl)-(4-methoxyphenyl)]amine

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene for 12h;	99.6%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: [(4-(2,2'-bithiophenyl-5-yl)phenyl)-(4-fluorophenyl)]amine

: [(4-(2,2'-bithiophenyl-5-yl)phenyl)-(4-tert-butylphenyl)-(4-fluorophenyl)]amine

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene for 12h;	99.6%

: 79-41-4
poly(methacrylic acid)

: 3972-65-4
1-bromo-4-tert-butylbenzene

: C14H17O2(1-)*Na(1+)

Conditions

Conditions	Yield
Stage #1: poly(methacrylic acid) With sodium carbonate In water Stage #2: With palladium dichloride Stage #3: 1-bromo-4-tert-butylbenzene With 2,6-di-tert-butyl-4-methyl-phenol; sodium carbonate In water at 130 - 135℃; under 9000.9 - 12001.2 Torr; for 2h; Autoclave; Inert atmosphere;	99.6%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 253185-03-4, 253185-04-5
tert-butylbenzene

Conditions

Conditions	Yield
With potassium phosphate In N,N-dimethyl-formamide; cyclohexanol at 110℃; for 12h;	99%
With n-butyllithium; samarium diiodide; dipyrrolidinomethylaminophosphoric acid triamide; tert-butyl alcohol In tetrahydrofuran; hexane at -66 - 21℃;	94%
With triethylamine In acetonitrile at 20℃; for 15h; Irradiation; Inert atmosphere;	84%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 1625-91-8
4,4'-di-tert-butylbiphenyl

Conditions

Conditions	Yield
With tetraethylammonium tosylate; tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl-formamide Ambient temperature; electrolysis;	99%
With DPEPhos; potassium tert-butylate; palladium diacetate; bis(pinacol)diborane for 12h; Heating;	99%
With potassium carbonate In ethanol; water at 80℃; for 4h; Ullmann Condensation; Schlenk technique; Sealed tube;	88%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 544-92-3
copper(I) cyanide

: 4210-32-6
4-tert-butyl benzonitrile

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-tert-butylbenzene; copper(I) cyanide In N,N-dimethyl-formamide for 8h; Heating; Stage #2: With hydrogenchloride; iron(III) chloride In water; N,N-dimethyl-formamide at 70℃; for 0.5h;	99%
In N,N-dimethyl-formamide for 5h; Heating;	71%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 108-95-2
phenol

: 5331-28-2
1-tert-butyl-4-phenoxybenzene

Conditions

Conditions	Yield
With di-tert-butyl{2′-isopropoxy-[1,1′-binaphthalen]-2-yl}phosphane; sodium hydride; bis(dibenzylideneacetone)-palladium(0) In o-xylene at 110℃; for 18h; Inert atmosphere;	99%
With caesium carbonate; copper(l) iodide In 1-methyl-pyrrolidin-2-one at 195℃; for 2h; microwave irradiation;	89%
With potassium phosphate; copper(l) iodide; N,N′-bis(2-phenylphenyl)oxalamide In N,N-dimethyl-formamide at 90℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;	88%
With copper(I) trifluoromethanesulfonate benzene; 1-naphthalenecarboxylic acid; caesium carbonate; ethyl acetate In toluene at 110℃;	81%

: 110-91-8
morpholine

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 84736-47-0
4-(4-(tert-butyl)phenyl)morpholine

Conditions

Conditions	Yield
With sodium t-butanolate; 1-(2-di-isopropylphosphinophenyl)-3,5-diphenyl-1H-pyrazole; tris(dibenzylideneacetone)dipalladium (0) In toluene at 85℃;	99%
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; potassium hydroxide; tris(dibenzylideneacetone)dipalladium (0) In tert-Amyl alcohol; water at 90℃; for 5h;	99%
With palladium diacetate; P(i-BuNCH2CH2)3N; sodium t-butanolate In toluene at 80℃;	99%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 62-53-3
aniline

: 4496-49-5
4-tert-butyldiphenylamine

Conditions

Conditions	Yield
With palladium diacetate; P(i-BuNCH2CH2)3N; sodium t-butanolate In toluene at 80℃;	99%
With potassium tert-butylate; (ϖ-allyl)(diphosphinecyclobutene)palladium at 20℃; for 12h;	97%
With tris-(dibenzylideneacetone)dipalladium(0); (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); sodium t-butanolate In toluene at 80℃; for 21h; Schlenk technique; Inert atmosphere;	95%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 70729-05-4
1-Bromo-4-tert-butyl-2-nitro-benzene

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 20℃; for 12h;	99%
With sulfuric acid; nitric acid	95%
With sulfuric acid; nitric acid Inert atmosphere;	95%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 769-92-6
4-tert-Butylaniline

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium (0); lithium hexamethyldisilazane; CyJohnPhos In tetrahydrofuran at 65℃; for 15h;	99%
With copper(l) iodide; 2-carboxyquinoline N-oxide; potassium carbonate; ammonium hydroxide In dimethyl sulfoxide at 80℃; for 23h; Inert atmosphere;	90%
With bis(tri-ortho-tolylphosphine)palladium(0); (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl-di-tert-butylphosphine; ammonia; sodium t-butanolate In 1,4-dioxane at 80℃; for 6h; Inert atmosphere;	88%

: 111-26-2
hexan-1-amine

: 3972-65-4
1-bromo-4-tert-butylbenzene

: N,N-di(4-tert-butylphenyl)-n-hexylamine

Conditions

Conditions	Yield
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; palladium compound; sodium t-butanolate In toluene at 100℃; for 4h;	99%
With sodium t-butanolate; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; palladium diacetate In toluene	99%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 64-04-0
phenethylamine

: N-(4-tert-butylphenyl)-N-(2-phenylethyl)amine

Conditions

Conditions	Yield
With sodium t-butanolate; 1-(di-2-tert-butylphosphinophenyl)-2,5-diphenyl-1H-pyrrole; tris(dibenzylideneacetone)dipalladium (0) In toluene at 85℃;	99%
With 5-(di-t-butylphosphanyl)-1-naphthalen-1-yl-1H-pyrazole; potassium hydroxide; tris(dibenzylideneacetone)dipalladium (0) In tert-Amyl alcohol; water at 90℃;	90%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 87-62-7
2,6-dimethylaniline

: N-(4-(tert-butyl)phenyl)-2,6-dimethylaniline

Conditions

Conditions	Yield
With sodium t-butanolate; 1-(2-di-tert-butylphosphinophenyl)-3,5-diphenyl-1H-pyrazole; tris(dibenzylideneacetone)dipalladium (0) In tert-Amyl alcohol at 85℃;	99%
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; potassium hydroxide; tris(dibenzylideneacetone)dipalladium (0) In tert-Amyl alcohol; water at 90℃; for 5h;	99%
With sodium t-butanolate; dicyclohexyl[2-(1-phenylvinyl)phenyl]phosphane; palladium diacetate In toluene at 100℃;	72%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 7486-35-3
tri-n-butyl(vinyl)tin

: 1746-23-2
4-tert-Butylstyrene

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium (0); 2,8,9-tribenzyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane; cesium fluoride In tetrahydrofuran at 20℃; for 10h; Stille cross-coupling;	99%
With cesium fluoride; palladium diacetate In 1,4-dioxane at 100℃; for 3h; Stille cross-coupling;	99%
With bis(tri-t-butylphosphine)palladium(0) In water at 20℃; for 4h; Stille Cross Coupling; Inert atmosphere;	92%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 618-36-0
rac-methylbenzylamine

: 4-(tert-butyl)-N-(1-phenylethyl)aniline

Conditions

Conditions	Yield
With 5-(di-t-butylphosphanyl)-1-naphthalen-1-yl-1H-pyrazole; potassium hydroxide; tris(dibenzylideneacetone)dipalladium (0) In tert-Amyl alcohol; water at 90℃;	99%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 97302-05-1
di-4-methoxyphenylzinc

: 4-tert-butyl-4'-methoxylbiphenyl

Conditions

Conditions	Yield
With catalyst 1 (aliphatic, phosphine based pincer complex of palladium) In 1,4-dioxane; 1-methyl-pyrrolidin-2-one at 100℃; for 0.25h; Negishi cross-coupling reaction;	99%

: 2116-65-6
4-benzyl pyridine

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 1393444-74-0
(4-tert-butylphenyl)(4-pyridyl)phenylmethane

Conditions

Conditions	Yield
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	99%
With BF4(1-)*C20H25N2O2(1+); palladium diacetate; sodium hexamethyldisilazane In toluene at 60℃; for 12h; Reagent/catalyst; Inert atmosphere;	96%
With BF4(1-)*C20H25N2O2(1+); palladium diacetate; sodium hexamethyldisilazane In toluene at 60℃; for 16h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	95%
With C25H21N2O(1+)*Cl(1-); palladium diacetate; sodium hexamethyldisilazane In toluene at 60℃; for 12h; Reagent/catalyst; Inert atmosphere;	89%
With bis(1,5-cyclooctadiene)nickel (0); sodium hexamethyldisilazane; nixantphos at 110℃; for 16h;	80%

: 101-82-6
2-Benzylpyridine

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 1393444-73-9
(4-tert-butylphenyl)(2-pyridyl)phenylmethane

Conditions

Conditions	Yield
With diethylene glycol dimethyl ether; NiXantphos; palladium diacetate; sodium hexamethyldisilazane at 23℃; for 12h; Catalytic behavior; Reagent/catalyst; Glovebox; Inert atmosphere; Sealed tube;	99%
With bis(1,5-cyclooctadiene)nickel (0); sodium hexamethyldisilazane; nixantphos at 20℃; for 16h; Catalytic behavior; Temperature; Concentration; Time;	99%
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	96%

: 92-83-1
xanthene

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 1393444-71-7
9-(4-tert-butylphenyl)xanthene

Conditions

Conditions	Yield
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	99%
With bis(1,5-cyclooctadiene)nickel (0); sodium hexamethyldisilazane; nixantphos at 110℃; for 16h;	81%

: 86-73-7
9H-fluorene

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 9-(4-tert-butylphenyl)fluorene

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); sodium hexamethyldisilazane; nixantphos at 50℃; for 16h;	99%
With KN(SiMe3)2; palladium diacetate; nixantphos In tetrahydrofuran at 85℃; for 12h; Inert atmosphere;	87%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 101-81-5
Diphenylmethane

: 26167-26-0
((4-(tert-butyl)phenyl)methylene)dibenzene

Conditions

Conditions	Yield
With 15-crown-5; NiXantphos; palladium diacetate; sodium hexamethyldisilazane at 23℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Concentration; Glovebox; Inert atmosphere; Sealed tube;	99%
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	95%
Stage #1: 1-bromo-4-tert-butylbenzene; Diphenylmethane With palladium diacetate; potassium hexamethylsilazane; nixantphos at 24℃; for 12h; Inert atmosphere; Glovebox; Stage #2: With depe at 24℃; for 0.666667h;	91%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 611-45-0
1-Benzyl-naphthalene

: 1393444-66-0
(4-tert-butylphenyl)(1-naphthyl)phenylmethane

Conditions

Conditions	Yield
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	99%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 587-79-1
4-fluorodiphenylmethane

: 1393444-68-2
(4-tert-butylphenyl)(4-fluorophenyl)phenylmethane

Conditions

Conditions	Yield
With 1,1,4,7,10,10-hexamethyltriethylenetetramine; NiXantphos; palladium diacetate; sodium hexamethyldisilazane at 23℃; for 12h; Catalytic behavior; Reagent/catalyst; Glovebox; Inert atmosphere; Sealed tube;	99%
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	96%

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 13132-15-5
2-benzylthiophene

: 1393444-77-3
(4-tert-butylphenyl)(2-thienyl)phenylmethane

Conditions

Conditions	Yield
With KN(SiMe3)2; palladium diacetate; nixantphos In cyclopentyl methyl ether at 24℃; for 12h; Inert atmosphere;	99%

1-Bromo-4-tert-butylbenzene Chemical Properties

IUPAC Name:1-bromo-4-tert-butylbenzene
Molecular Formula:C₁₀H₁₃Br
Molecular Weight:213.114220 g/mol
Appearance:Colorless liquid
Melting Point:13-16 °C(lit.)
Boiling Point:80-81 °C2 mm Hg(lit.)
Flash Point:97 °C
Solubility:benzene, xylene, chlorobenzene and other solvents.
Insolubility:water
density:1.229 g/mL at 25 °C(lit.)
refractive index n20/D 1.533(lit.)
BRN:1859117
CAS DataBase Reference:3972-65-4(CAS DataBase Reference)
NIST Chemistry Reference:3972-65-4(NIST)
Synonyms of 1-Bromo-4-tert-butylbenzene(3972-65-4):
P-BROMO-T-BUTYLBENZENE;4-BROMO-TERT-BUTYLBENZENE;2-(4'-BROMOPHENYL)-2-METHYLPROPANE;1-BROMO-P-T-BUTYLBENZENE;1-BROMO-4-T-BUTYLBENZENE;1-BROMO-4-TERT-BUTYLBENZENE;P-BROMO-TERT-BUTYLBENZENE;4-TERT-BUTYLBROMOBENZENE
Categories of 1-Bromo-4-tert-butylbenzene(3972-65-4):
Halides;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Aryl;C9 to C12;Halogenated Hydrocarbons;Bromine Compounds

1-Bromo-4-tert-butylbenzene Uses

1-Bromo-4-tert-butylbenzene(3972-65-4) is used as a intermediate for the synthesis of Miticide Fenazaquin.

1-Bromo-4-tert-butylbenzene Safety Profile

Safety Information of 1-Bromo-4-tert-butylbenzene(3972-65-4):
Hazard Codes : Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:23-24/25-37/39-26
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25:Avoid contact with skin and eyes
37/39:Wear suitable gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3
Hazard Note:Irritant
HS Code:29036990

Product Name

1-Bromo-4-tert-butylbenzene

Synthetic route

1-Bromo-4-tert-butylbenzene Chemical Properties

1-Bromo-4-tert-butylbenzene Uses

1-Bromo-4-tert-butylbenzene Safety Profile

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