1-Bromo-4-(trans-4-pentylcyclohexyl)benzene supplier

Name
1-Bromo-4-(trans-4-pentylcyclohexyl)benzene
EINECS 616-745-5
CAS No. 79832-89-6
Article Data2
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₅Br
Boiling Point 363 °C at 760 mmHg
Molecular Weight 309.289
Flash Point 165.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-bromo-4-(4-pentylcyclohexyl)-, trans-;4-(trans-4-Pentylcyclohexyl)-1-bromobenzene;4-(trans-4-n-Pentylcyclohexyl)phenyl bromide;4-Bromo-1-(trans-4-pentylcyclohexyl)benzene;4-(trans-4-Pentylcyclohexyl)bromobenzene;
PSA 0.00000
LogP 6.30320

Synthetic route

: 106-37-6
1.4-dibromobenzene

: 4-n-pentylcyclohexylmagnesium bromide

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In diethyl ether Ambient temperature;	86%

: 66227-31-4
trans-4-pentylcyclohexylbenzene

: 7439-89-6
iron

: sodium hydrogensulfite

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

Conditions

Conditions	Yield
With bromine; iodine In dichloromethane

...Expand

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 168267-41-2
(3,4-difluorophenyl)boronic acid

: 134412-17-2
3,4-difluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 0.5h; Suzuki Coupling;	97%

: 1765-93-1
4-fluoroboronic acid

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 4-fluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 0.5h; Suzuki Coupling;	95%

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 98-80-6
phenylboronic acid

: 4-(4-pentylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 0.166667h; Suzuki Coupling;	93%

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 139047-78-2
4-(4-pentylcyclohexyl)-4'-(trifluoromethyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 1.25h; Suzuki Coupling;	93%

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 143418-49-9
3,4,5-trifluorophenylboronic acid

: 3,4,5-trifluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate In ethanol; water at 80℃; for 2.5h; Suzuki Coupling;	91%

: 1781-66-4
cyclopent-3-enyl bromide

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

A: bi-3-cyclopenten-1-yl

B: 1,1'-bis{4-[(trans-4-pentyl)cyclohexyl]phenyl}

: 1-(cyclopenten-4-yl)-4-[(trans-4-pentyl)cyclohexyl]benzene

Conditions

Conditions	Yield
Stage #1: cyclopent-3-enyl bromide With magnesium In diethyl ether Stage #2: 1-bromo-4-(trans-4-pentylcyclohexyl)benzene With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In diethyl ether at 20℃; for 12h; Further stages.;	A n/a B n/a C 75%

...Expand

: 5720-07-0
4-methoxyphenylboronic acid

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 4-methoxy-4'-(trans-4-pentylcyclohexyl)biphenyl

Conditions

Conditions	Yield
With sodium carbonate In ethanol; water; toluene at 90℃; for 6h; Inert atmosphere;	73%
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water for 4h; Inert atmosphere; Reflux;	82 g

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 768-60-5
4-methoxyphenylacetylen

: 372983-17-0
1-methoxy-4-((4-(4-pentylcyclohexyl)phenyl)ethynyl)benzene

Conditions

Conditions	Yield
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 8h; Sonogashira coupling; Inert atmosphere;	71%

: 121-43-7
Trimethyl borate

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 143651-26-7
4-(trans-4-pentylcyclohexyl)phenylboronic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-(trans-4-pentylcyclohexyl)benzene With magnesium In tetrahydrofuran at 20℃; for 3h; Stage #2: Trimethyl borate In tetrahydrofuran at 20 - 78℃; for 24h;	70%
With magnesium In tetrahydrofuran (Ar); dissolving Mg and aryl bromide in dry THF, stirring for 2 h at room temp., addn. of borate deriv. at -78°C, stirring for 5 h at room temp.; washing with HCl, water and chloroform, recrystn. (hexane);	52%

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 121219-16-7
(2,3-difluorophenyl)boronic acid

: 2,3-difluoro-4'-(trans-4-pentylcyclohexyl)biphenyl

Conditions

Conditions	Yield
With sodium carbonate; tetrakis(triphenylphosphine) palladium(0) In ethanol; water; benzene for 6h; Heating / reflux;	69.9%

: 1737-16-2
1-allyl-4-fluorobenzene

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 73183-34-3
bis(pinacol)diborane

A: C32H46BFO2

B: C32H46BFO2

Conditions

Conditions	Yield
With [nickel(II)dichloride(dimethoxyethane)]; quinoline; lithium methanolate In 1,4-dioxane at 30℃; Inert atmosphere; Sealed tube; regioselective reaction;	A n/a B 68%

...Expand

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 143651-26-7
4-(trans-4-pentylcyclohexyl)phenylboronic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-(trans-4-pentylcyclohexyl)benzene With magnesium In tetrahydrofuran at 20℃; for 2h; Stage #2: With Trimethyl borate In tetrahydrofuran at 20℃; for 5h; Further stages.;	52%

: 37031-29-1
(-)-dimethy-2,3-O-isopropylidene-L-tartrate

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: (4R,5R)-2,2-dimethyl-α,α,α',α'-tetra[4-(trans-4-n-pentylcyclohexyl)phenyl]-1,3-diox olane-4,5-dimethanol

Conditions

Conditions	Yield
Stage #1: 1-bromo-4-(trans-4-pentylcyclohexyl)benzene With magnesium In tetrahydrofuran at 80℃; for 1h; Inert atmosphere; Stage #2: (-)-dimethy-2,3-O-isopropylidene-L-tartrate In tetrahydrofuran at 80℃; for 11.5h; Inert atmosphere;	51%

: 136240-57-8
3-methyl-4-propyl-1-(4-bromophenyl)cyclohexane

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 132640-45-0, 136315-98-5
3r-methyl-4t-propyl-1c-<4'-(trans-4-amylcyclohexyl)-4-biphenylyl>cyclohexane

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; magnesium 2.) THF, reflux, 1 h; Yield given. Multistep reaction;

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: (3-bromocyclobutyl)benzene

A: trans-1-(4-Pentylcyclohexyl)-4-(3-phenylcyclobutyl)benzol

B: cis-1-(4-Pentylcyclohexyl)-4-(3-phenylcyclobutyl)benzol

Conditions

Conditions	Yield
With lithium; zinc dibromide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 1.) THF, toluene, ultrasonic irradiation, 0-10 deg C, 3.3 h, 2.) THF, toluene, r.t., 3 d; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 138526-69-9
3,4,5-trifluoro-1-bromobenzene

: 3,4,5-trifluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl

Conditions

Conditions	Yield
Multistep reaction;

: 136466-94-9
(2,6-difluoropyridin-3-yl)boronic acid

Na2 CO3 -solution: Na2 CO3 -solution

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 136466-93-8
2,6-difluoro-3-[4-(trans-4-pentylcyclohexyl)phenyl]-pyridine

Conditions

Conditions	Yield
Pd(PPh3)4 In ethanol; toluene

...Expand

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 3-fluoro-5-octyloxy-2-[4-(trans-4-pentylcyclohexyl)phenyl]pyridine

: 61203-83-6
4-n-pentylcyclohexanone

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 1,4-bis-(trans-4-n-pentylcyclohexyl)-benzene

Conditions

Conditions	Yield
With ammonium chloride; magnesium In tetrahydrofuran; ice-water; ethanol; potassium tert-butylate; water; palladium; dimethyl sulfoxide

Pd(PPh3)4 (4 x 10min4 mM): Pd(PPh3)4 (4 x 10min4 mM)

: 2,3-difluoro-pyridine-5-bromic acid

: 497-19-8
sodium carbonate

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 2,3-difluoro-5-[4-(trans-4-pentylcyclohexyl)phenyl]-pyridine

Conditions

Conditions	Yield
In ethanol; toluene

...Expand

Na2CO3-solution: Na2CO3-solution

: 2,3,6-trifluoro-pyridine-5-boronic acid

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 2,3,6-trifluoro-5-[4-(trans-4-pentylcyclohexyl)phenyl]-pyridine

Conditions

Conditions	Yield
Pd(PPh3)4 In ethanol; toluene

...Expand

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 136321-96-5
4-(4-n-pentylcyclohexyl)benzeneboronic acid

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 91545-94-7
4'-(trans-4-pentylcyclohexyl)-[1,1‘-biphenyl]-4-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium carbonate / toluene; ethanol; water / 6 h / 90 °C / Inert atmosphere 2: boron tribromide / dichloromethane / 2 h / 0 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water / 4 h / Inert atmosphere; Reflux 2: pyridine hydrochloride salt / 1 h / 200 °C View Scheme

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: C30H34N2O5

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium carbonate / toluene; ethanol; water / 6 h / 90 °C / Inert atmosphere 2: boron tribromide / dichloromethane / 2 h / 0 °C / Inert atmosphere 3: sodium hydroxide / tetrahydrofuran; water; N,N-dimethyl-formamide / 4 h / 20 - 25 °C View Scheme

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: C30H38N2O

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium carbonate / toluene; ethanol; water / 6 h / 90 °C / Inert atmosphere 2: boron tribromide / dichloromethane / 2 h / 0 °C / Inert atmosphere 3: sodium hydroxide / tetrahydrofuran; water; N,N-dimethyl-formamide / 4 h / 20 - 25 °C 4: hydrogen; platinum(IV) oxide / 1,4-dioxane / 19 h / 20 - 80 °C View Scheme

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 6-((4’-(trans-4-pentylcyclohexyl)-[1,1’-biphenyl]-4-yl)oxy)hexan-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water / 4 h / Inert atmosphere; Reflux 2.1: pyridine hydrochloride salt / 1 h / 200 °C 3.1: potassium carbonate; potassium iodide / N,N-dimethyl acetamide / 90 °C / Inert atmosphere 3.2: 40 h / 90 °C / Inert atmosphere View Scheme

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: 6-((4'-(4-pentylcyclohexyl)[1,1'-biphenyl]-4-yl)oxy)hexyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water / 4 h / Inert atmosphere; Reflux 2.1: pyridine hydrochloride salt / 1 h / 200 °C 3.1: potassium carbonate; potassium iodide / N,N-dimethyl acetamide / 90 °C / Inert atmosphere 3.2: 40 h / 90 °C / Inert atmosphere 4.1: pyridine / dichloromethane / 24 h / 20 °C View Scheme

: 79832-89-6
1-bromo-4-(trans-4-pentylcyclohexyl)benzene

: C42H50O4

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water / 4 h / Inert atmosphere; Reflux 2.1: pyridine hydrochloride salt / 1 h / 200 °C 3.1: potassium carbonate; potassium iodide / N,N-dimethyl acetamide / 90 °C / Inert atmosphere 3.2: 40 h / 90 °C / Inert atmosphere 4.1: pyridine / dichloromethane / 24 h / 20 °C 5.1: potassium carbonate / acetone / 2 h / 70 °C / Inert atmosphere View Scheme

Yield

Multi-step reaction with 5 steps
1.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water / 4 h / Inert atmosphere; Reflux
2.1: pyridine hydrochloride salt / 1 h / 200 °C
3.1: potassium carbonate; potassium iodide / N,N-dimethyl acetamide / 90 °C / Inert atmosphere
3.2: 40 h / 90 °C / Inert atmosphere
4.1: pyridine / dichloromethane / 24 h / 20 °C
5.1: potassium carbonate / acetone / 2 h / 70 °C / Inert atmosphere
View Scheme

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene Chemical Properties

Molecular Structure of 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene (CAS NO.79832-89-6):

Empirical Formula: C₁₇H₂₅Br
Molecular Weight: 309.2844
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: Å²
Index of Refraction: 1.518
Molar Refractivity: 83.03 cm³
Molar Volume: 273.9 cm³
Surface Tension: 35.2 dyne/cm
Density: 1.129 g/cm³
Flash Point: 165.9 °C
Enthalpy of Vaporization: 58.5 kJ/mol
Boiling Point: 363 °C at 760 mmHg
Vapour Pressure: 3.89E-05 mmHg at 25°C

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene Specification

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene , with CAS number of 79832-89-6, can be called 1-Bromo-4-(trans-4-n-pentylcyclohexyl)benzene ; 4-pentyl-cyclohexyl bromo phenol ; 1-bromo-4-(4-pentyl-cyclohexyl)-benzene,5pcbrc17h25br;1-bromo-4-(trans-4-pentylcyclohexyl)benzene ; trans-4-(4-pentylcyclohexyl)-1-bromobenzene . It is an intermediates of liquid crystal.

Product Name

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene

Synthetic route

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene Chemical Properties

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene Specification

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