1-Bromo-6-phenylhexane supplier

Name
1-Bromo-6-phenylhexane
EINECS
CAS No. 27976-27-8
Article Data37
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇Br
Boiling Point 299 °C at 760 mmHg
Molecular Weight 241.171
Flash Point 158.1 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Hexane,1-bromo-6-phenyl- (6CI,8CI);(6-Bromohexyl)benzene;(6-Bromohexyl)benzol;1-Bromo-6-phenylhexane;6-Bromo-1-phenylhexane;6-Phenylhexyl bromide;
PSA 0.00000
LogP 4.18440

Synthetic route

: 2430-16-2
6-phenyl-1-hexanol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With carbon tetrabromide; triphenylphosphine In dichloromethane for 1h;	77%
With phosphorus tribromide In diethyl ether at 0 - 20℃; for 15h;	34%
With phosphorus; sulfuric acid; hydrogen bromide

: 629-03-8
1 ,6-dibromohexane

: 591-51-5
phenyllithium

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; hexane at -14 - 20℃; for 7h; Inert atmosphere;	70%
In tetrahydrofuran
In tetrahydrofuran; diethyl ether at -10℃; for 0.5h;

: phenylmagnesium bromide

: 6-bromohexyl 4-methylbenzenesulfonate

A: 1087-49-6
1,6-diphenylhexane

B: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With buta-1,3-diene; palladium(II) acetylacetonate In tetrahydrofuran at 20℃; for 3h;	A 8% B 69%
With buta-1,3-diene; nickel dichloride In tetrahydrofuran at 20℃; for 3h;	A 20% B 27%

...Expand

: 629-03-8
1 ,6-dibromohexane

: phenylmagnesium bromide

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With 1,8-diazabicyclo[2.2.2.]octane; (1,2,3,4,5-pentamethyl-cyclopenta-2,4-dienylmethyl)PPh2*BH3; nickel dichloride In tetrahydrofuran; diethyl ether; toluene at 25℃; for 3h;	68%

: 629-03-8
1 ,6-dibromohexane

: 71-43-2
benzene

A: 28591-23-3
(5-bromo-1-methylpentyl)benzene

B: 4175-54-6
1,2,3,4-tetrahydro-1,4-dimethylnaphthalene

C: 27976-27-8
(6-bromohexyl)benzene

D: 13556-58-6
1-ethyltetralin

Conditions

Conditions	Yield
With silver trifluoromethanesulfonate for 20h; Heating; Further byproducts given;	A 21% B 24% C 6% D 25%

...Expand

: 30134-52-2
5-hexen-2-ylbenzene

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With hydrogen bromide; dihydrogen peroxide

: 296282-60-5
6-phenylhexyl acetate

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With hydrogen bromide Heating; Yield given;
With hydrogen bromide Reflux;

: 1588-44-9
6-phenyl-1-hexene

: 10035-10-6, 12258-64-9
hydrogen bromide

peroxide/s: peroxide/s

: 27976-27-8
(6-bromohexyl)benzene

...Expand

: 16424-56-9, 81077-22-7, 5771-67-5
(E/Z)-6-Phenylhex-5-enoic acid

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: diethyl ether; methanol 2: DIBAL-H / CH2Cl2 / 0.5 h / 0 °C 3: H2 / PtO2 / methanol / 2585.7 Torr 4: NBS, Ph3P / CH2Cl2 / 0.42 h / 0 - 20 °C View Scheme

: 17814-85-6
(4-carboxybutyl)triphenylphosphonium bromide

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1.) NaCH2SOCH3 / 1.) DMSO, RT, 30 min, 2.) DMSO, RT, 1 h 2: diethyl ether; methanol 3: DIBAL-H / CH2Cl2 / 0.5 h / 0 °C 4: H2 / PtO2 / methanol / 2585.7 Torr 5: NBS, Ph3P / CH2Cl2 / 0.42 h / 0 - 20 °C View Scheme

: 98078-15-0
6-phenylhex-5-en-1-ol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / PtO2 / methanol / 2585.7 Torr 2: NBS, Ph3P / CH2Cl2 / 0.42 h / 0 - 20 °C View Scheme

: 100-52-7
benzaldehyde

C-phenyl-C-<2-methoxy-naphthyl-(1)>-methylamine: C-phenyl-C-<2-methoxy-naphthyl-(1)>-methylamine

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1.) NaCH2SOCH3 / 1.) DMSO, RT, 30 min, 2.) DMSO, RT, 1 h 2: diethyl ether; methanol 3: DIBAL-H / CH2Cl2 / 0.5 h / 0 °C 4: H2 / PtO2 / methanol / 2585.7 Torr 5: NBS, Ph3P / CH2Cl2 / 0.42 h / 0 - 20 °C View Scheme

: 85396-64-1
(E)-6-phenyl-5-hexenoic acid methyl ester

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: DIBAL-H / CH2Cl2 / 0.5 h / 0 °C 2: H2 / PtO2 / methanol / 2585.7 Torr 3: NBS, Ph3P / CH2Cl2 / 0.42 h / 0 - 20 °C View Scheme

: 5581-76-0
6-phenyl-hexanoic acid methyl ester

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: LiBH4 2: sulfuric acid; red phosphorus; aqueous hydrobromic acid View Scheme

: 5631-95-8
2,3-dichlorotetrahydro-2H-pyran

aqueous alkaline solution: aqueous alkaline solution

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) Mg, Et2O, (ii) Na 2: H2 / Raney-Ni 3: aq. HBr, H2SO4 View Scheme
Multi-step reaction with 2 steps 2: aq. HBr View Scheme

: 136054-69-8
trans-6-phenyl-4-hexen-1-ol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / Raney-Ni 2: aq. HBr, H2SO4 View Scheme

: 100-44-7
benzyl chloride

sodium compound of α-naphthol: sodium compound of α-naphthol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: (i) Mg, Et2O, (ii) Na 2: H2 / Raney-Ni 3: aq. HBr, H2SO4 View Scheme

: 6921-34-2
benzylmagnesium chloride

d(-)-mandelic acidamide: d(-)-mandelic acidamide

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: aq. HBr View Scheme

: 558-13-4
carbon tetrabromide

: 111-27-3
hexan-1-ol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With triphenylphosphine In dichloromethane
With triphenylphosphine In dichloromethane
With triphenylphosphine In dichloromethane

: (E)-(6-bromohex-3-en1-yl)benzene

: 27976-27-8
(6-bromohexyl)benzene

: 22809-37-6
6-bromohexanoyl chloride

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With triethylsilane; aluminium chloride In hexane; dichloromethane; water; benzene

: 103-63-9
1-phenyl-2-bromoethane

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: iodine; magnesium / tetrahydrofuran / Inert atmosphere; Reflux 1.2: 1 h / 5 - 10 °C / Inert atmosphere 2.1: hydrogen bromide / Reflux View Scheme

: 629-03-8
1 ,6-dibromohexane

: 108-86-1
bromobenzene

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With n-butyllithium In diethyl ether; hexane at 0℃; for 2h; Inert atmosphere;

: 629-03-8
1 ,6-dibromohexane

: 100-58-3
phenylmagnesium bromide

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With Cl2CuI(2-)*2Li(1+) In tetrahydrofuran at 20℃; for 2h;

: 4463-42-7
benzyl boronic acid

: 103935-50-8
5-bromopentyl trifluoromethanesulfonate

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With potassium phosphate In toluene at 60℃; for 12h;	13 mg

: 34626-51-2
5-bromopentan-1-ol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2,6-dimethylpyridine / dichloromethane / 0.33 h / -78 °C / Inert atmosphere 2: potassium phosphate / toluene / 12 h / 60 °C View Scheme

: 662143-14-8
2-Phenylethyl cyclopropyl carbinol

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium bromide; phosphorus tribromide; zinc dibromide View Scheme

: 22809-37-6
6-bromohexanoyl chloride

: 71-43-2
benzene

: 27976-27-8
(6-bromohexyl)benzene

Conditions

Conditions	Yield
With triethylsilane; aluminium chloride In hexane; dichloromethane; water; benzene

: 27976-27-8
(6-bromohexyl)benzene

: 52121-98-9
6-phenyl-1-hexyl iodide

Conditions

Conditions	Yield
In acetone	99%
With sodium iodide In acetone	99%

: 27976-27-8
(6-bromohexyl)benzene

: sodium 6-phenylhexane-1-sulfonate

Conditions

Conditions	Yield
With sodium sulfite In ethanol; water for 24h; Heating;	96%
With sodium sulfite In tetrahydrofuran; ethanol; water at 160℃; for 0.25h; Microwave irradiation;

: 27976-27-8
(6-bromohexyl)benzene

: 192182-85-7
6-phenylhexane-1-thiol

Conditions

Conditions	Yield
Stage #1: (6-bromohexyl)benzene With hexamethyldisilathiane; tetrabutyl ammonium fluoride In tetrahydrofuran at -20 - 20℃; for 12h; Darkness; Stage #2: With ammonium chloride In dichloromethane; water	91%
Multi-step reaction with 2 steps 1: 0.48 g / NaOH View Scheme
With ammonia; thiourea In ethanol; dichloromethane

: 27976-27-8
(6-bromohexyl)benzene

: 2-(pyrimidin-5-yl)phenol

: 5-(2-((6-phenylhexyl)oxy)phenyl)pyrimidine

Conditions

Conditions	Yield
With potassium carbonate In acetone at 70℃; for 24h; Inert atmosphere; Sealed tube;	85%

: 27976-27-8
(6-bromohexyl)benzene

: 1,4-dideoxy-2,3:5,6-di-O-isopropylidene-1,4-imino-D-mannitol

: N-(phenylhexyl)-1,4-dideoxy-2,3:5,6-di-O-isopropylidene-1,4-imino-D-mannitol

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 10h; Heating;	81%

: 27976-27-8
(6-bromohexyl)benzene

: 1077-16-3
hexylbenzene

Conditions

Conditions	Yield
With n-butyllithium; samarium diiodide; dipyrrolidinomethylaminophosphoric acid triamide; tert-butyl alcohol In tetrahydrofuran; hexane at -66 - 21℃;	80%

: 376642-19-2
4-[2-(4-benzyloxyphenyl)-5-methyl-1H-pyrrol-1-yl]phenol

: 27976-27-8
(6-bromohexyl)benzene

: 376642-36-3
2-(4-Benzyloxyphenyl)-5-methyl-1-[4-(6-phenylhexyloxy)-phenyl]-1H-pyrrole

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	79.4%

: 27976-27-8
(6-bromohexyl)benzene

: C16H16N4O*2ClH

: 1426156-40-2
C28H32N4O

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 15h; Reflux;	77%

: 40481-13-8
4-phenyl-4-cyanopiperidine

: 27976-27-8
(6-bromohexyl)benzene

: 4-Cyano-1-(6-phenylhexyl)-4-phenylpiperidin

Conditions

Conditions	Yield
	75%

: 27976-27-8
(6-bromohexyl)benzene

: 195711-50-3
4-Piperazin-1-yl-pyrrolo[1,2-a]quinoxaline

: 4-(4-(6-phenylhexyl)piperazin-1-yl)pyrrolo[1,2-a]quinoxaline

Conditions

Conditions	Yield
With triethylamine In acetonitrile Reflux;	75%

: 106-41-2
4-bromo-phenol

: 27976-27-8
(6-bromohexyl)benzene

: 6-(p-bromophenoxy)-1-phenylhexane

Conditions

Conditions	Yield
With sodium hydroxide In dimethyl sulfoxide at 100℃; for 5h; Etherification;	72%

: 101870-11-5
7-hydroxy-8-nitrochromone

: 27976-27-8
(6-bromohexyl)benzene

: 166529-53-9
8-nitro-7-<(6-phenylhexyl)oxy>chromone

Conditions

Conditions	Yield
With potassium carbonate; lithium iodide In N,N-dimethyl-formamide at 90℃; for 24h;	68%

: 376641-68-8
4-{2-[2-(4-benzyloxyphenyl)-5-methyl-1H-pyrrol-1-yl]ethyl}phenol

: 27976-27-8
(6-bromohexyl)benzene

: 376642-23-8
2-(4-benzyloxyphenyl)-5-methyl-1-{2-[4-(6-phenylhexyloxy)phenyl]ethyl}-1H-pyrrole

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	67.1%

: 19792-91-7
phenyl sulfamate

: 27976-27-8
(6-bromohexyl)benzene

: phenyl (6-bromo-1-phenylhexyl)sulfamate

Conditions

Conditions	Yield
Stage #1: phenyl sulfamate; (6-bromohexyl)benzene With aluminum oxide; tert-butyl isocyanide; bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} for 0.166667h; Stage #2: With (PhI(OtBu)2) for 6h; Sealed tube;	65%

: 4885-02-3
Dichloromethyl methyl ether

: 27976-27-8
(6-bromohexyl)benzene

: 4-(6-Bromo-hexyl)-benzaldehyde

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at 35℃; for 1h; Cooling with ice;	60%
With titanium tetrachloride In dichloromethane at 0 - 35℃; for 0.666667h;

: 35403-85-1
methyl 5-(furan-2-yl)-1,3,4-oxadiazole-2-carboxylate

: 27976-27-8
(6-bromohexyl)benzene

: 7-phenyl-1-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one

Conditions

Conditions	Yield
Stage #1: (6-bromohexyl)benzene With magnesium In tetrahydrofuran; ethylene dibromide at 23℃; Grignard reaction; Inert atmosphere; Sonication; Stage #2: methyl 5-(furan-2-yl)-1,3,4-oxadiazole-2-carboxylate In tetrahydrofuran; ethylene dibromide at -40℃; for 2h;	57%

: 35403-82-8
methyl 5-(thiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate

: 27976-27-8
(6-bromohexyl)benzene

: 1042151-27-8
7-phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one

Conditions

Conditions	Yield
Stage #1: (6-bromohexyl)benzene With magnesium In tetrahydrofuran; ethylene dibromide at 23℃; Grignard reaction; Inert atmosphere; Sonication; Stage #2: methyl 5-(thiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate In tetrahydrofuran; ethylene dibromide at -40℃; for 2h;	57%

: 1097642-11-9
(+/-)-5-benzyl-5-ethyl-4-oxo-1,2-oxathiolane-2,2-dioxide

: 27976-27-8
(6-bromohexyl)benzene

: 1127304-80-6
(+/-)-5-benzyl-5-ethyl-4-(6'-phenylhexyloxy)-5H-1,2-oxathiole-2,2-dioxide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetonitrile at 40℃; for 4h;	56%

: 1042151-20-1
methyl 3-(6-bromopyridin-2-yl)-1,2,4-oxadiazole-5-carboxylate

: 27976-27-8
(6-bromohexyl)benzene

: 1042151-37-0
1-(3-(6-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl)-7-phenylheptan-1-one

Conditions

Conditions	Yield
Stage #1: (6-bromohexyl)benzene With magnesium In tetrahydrofuran; ethylene dibromide at 23℃; Grignard reaction; Inert atmosphere; Sonication; Stage #2: methyl 3-(6-bromopyridin-2-yl)-1,2,4-oxadiazole-5-carboxylate In tetrahydrofuran; ethylene dibromide at -40℃; for 2h;	55%

: 27976-27-8
(6-bromohexyl)benzene

: 124-40-3
dimethyl amine

: 106291-63-8
N,N-dimethyl-6-phenylhexylamine

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether for 50h; Ambient temperature;	51%

: 27976-27-8
(6-bromohexyl)benzene

: 849798-86-3
methyl 5-(pyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate

: 7-phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one

Conditions

Conditions	Yield
Stage #1: (6-bromohexyl)benzene With magnesium In tetrahydrofuran; ethylene dibromide at 23℃; Grignard reaction; Inert atmosphere; Sonication; Stage #2: methyl 5-(pyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate In tetrahydrofuran; ethylene dibromide at -40℃; for 2h;	51%
Stage #1: (6-bromohexyl)benzene With magnesium; ethylene dibromide In tetrahydrofuran at 23℃; Inert atmosphere of Ar; Heating; Sonication; Stage #2: methyl 5-(pyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate In tetrahydrofuran at -40℃; for 2h;	51%
Stage #1: (6-bromohexyl)benzene With iodine; magnesium In tetrahydrofuran at 60℃; for 2h; Stage #2: methyl 5-(pyridin-2-yl)-1,3,4-oxadiazole-2-carboxylate In tetrahydrofuran at -40℃; for 4h;	51%

: 27976-27-8
(6-bromohexyl)benzene

: 94-09-7
p-aminoethylbenzoate

: 61440-49-1
ethyl 4-(6-phenylhexylamino)benzoate

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 125℃; for 24h;	50%

: 27976-27-8
(6-bromohexyl)benzene

: 1070-00-4
trioctylaluminum

: 1459-10-5
tetradecylbenzene

Conditions

Conditions	Yield
With potassium fluoride; benzylnixantphos; iron(II) acetate In tetrahydrofuran at 0 - 40℃; for 12h; Negishi Coupling; Inert atmosphere;	50%

: 27976-27-8
(6-bromohexyl)benzene

: 603-35-0
triphenylphosphine

: triphenyl(6-phenylhexyl)phosphonium iodide

Conditions

Conditions	Yield
With potassium iodide In acetonitrile at 85℃;	43%

: 27976-27-8
(6-bromohexyl)benzene

: 70826-45-8
5-methyl-4-mercaptomethylimidazole hydrochloride

: 131028-48-3
5-Methyl-4-(6-phenyl-hexylsulfanylmethyl)-1H-imidazole

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride In water; isopropyl alcohol at 80℃; for 4h;	41%

: 19236-58-9
dibenzyl methylphosphonate

: 27976-27-8
(6-bromohexyl)benzene

: 790699-80-8
dibenzyl 6-phenylhexylphosphonate

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃;	38.5%

1-Bromo-6-phenylhexane Specification

The Benzene,(6-bromohexyl)-, with the CAS registry number 27976-27-8, is also known as 6-Phenylhexyl bromide. This chemical's molecular formula is C₁₂H₁₇Br and formula weight is 241.17. What's more, its IUPAC name is 6-bromohexylbenzene. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides. When using it, you should avoid contacting with skin and eyes.

Physical properties of Benzene,(6-bromohexyl)- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/BCF (pH 5.5): 2.53; (5)ACD/KOC (pH 5.5): 67.67; (6)#Freely Rotating Bonds: 0; (7)Index of Refraction: 1.238; (8)Molar Refractivity: 11.77 cm³; (9)Molar Volume: 77.9 cm³; (10)Surface Tension: 9 dyne/cm; (11)Density: 1.078 g/cm³; (12)Enthalpy of Vaporization: 20.05 kJ/mol; (13)Vapour Pressure: 8450 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-oxy-1-phenyl-hexane. This reaction will need reagent Ph₃P, CBr₄ and solvent CH₂Cl₂ with the reaction time of 1 hour. The yield is about 77%.

Uses of Benzene,(6-bromohexyl)-: it can be used to produce 6-(p-bromophenoxy)-1-phenylhexane at the temperature of 100°C. It will need reagent NaOH and solvent dimethylsulfoxide with the reaction time of 5 hours. It's a reaction of etherification. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CCCCCCBr
(2)InChI: InChI=1S/C12H17Br/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
(3)InChIKey: RAOLIGFNQJMMKW-UHFFFAOYSA-N

Product Name

1-Bromo-6-phenylhexane

Synthetic route

1-Bromo-6-phenylhexane Specification

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