Conditions | Yield |
---|---|
With calcium bromide; tetrahexylammonium bromide at 110℃; for 24h; | 92% |
With tetrabutylammomium bromide; lithium chloride In toluene at 70℃; Rate constant; Equilibrium constant; effect of nature of the cation of the salt on the equilibrium constant; |
Conditions | Yield |
---|---|
With phosphorus tribromide In tetrahydrofuran at 10℃; for 3h; Large scale; | 91.4% |
With phosphorus tribromide for 4h; Cooling with ice; | 85% |
With hydrogen bromide |
Conditions | Yield |
---|---|
With magnesium bromide ethyl etherate In diethyl ether; dichloromethane at 0℃; for 0.0833333h; | A 88% B n/a |
Conditions | Yield |
---|---|
With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In hexane for 4h; Ambient temperature; pH=7.6; | 78% |
With hydrogen at 25℃; under 760.051 Torr; for 0.166667h; Catalytic behavior; Reagent/catalyst; Time; |
Conditions | Yield |
---|---|
With phosphorus tribromide In diethyl ether at 0 - 25℃; for 6h; | A 12.8% B 75.3% |
Bromoform
2-(hexyloxy)-1,3-dioxolane
A
[1,3]-dioxolan-2-one
B
1-bromo-hexane
C
formic acid-(2-bromo-ethyl ester)
D
hexanal
F
1,2-dibromomethane
Conditions | Yield |
---|---|
dibenzoyl peroxide at 100℃; for 2h; Rate constant; Product distribution; other temperature; | A n/a B n/a C n/a D n/a E 60% F n/a |
Bromoform
A
trimethylene carbonate
B
1-bromo-hexane
C
3-Brompropylformiat
D
hexanal
F
1,2-dibromomethane
Conditions | Yield |
---|---|
dibenzoyl peroxide at 100℃; for 2h; Rate constant; Product distribution; other temperature; | A n/a B n/a C n/a D n/a E 56% F n/a |
Conditions | Yield |
---|---|
50% |
Conditions | Yield |
---|---|
With dibromo sulfoxide; urea In 1,2-dichloro-benzene at 30 - 50℃; for 14h; Product distribution / selectivity; | A n/a B 13.5% |
Conditions | Yield |
---|---|
With hydrogen bromide unter der Einwirkung von stillen elektrischen Entlandungen; |
Acetyl bromide
ethyl n-hexyl ether
A
ethyl bromide
B
1-bromo-hexane
Conditions | Yield |
---|---|
at 180℃; im Rohr; |
Conditions | Yield |
---|---|
With bromine Irradiation.bei gleichzeitiger Belichtung mit einer Uviollampe; | |
With bromine Irradiation.bei gleichzeitiger Belichtung mit einer Uviollampe; |
Conditions | Yield |
---|---|
With borane; bromine; sodium methylate 1.)THF, 0 deg C, 2.) 0 deg C, 3.) MeOH, 0 deg C; Yield given. Multistep reaction; |
1-hexene
A
1-bromo-hexane
B
2-bromohexane
C
hexan-1-ol
Conditions | Yield |
---|---|
With borane; bromine In tetrahydrofuran at 20 - 25℃; Product distribution; bromination reaction in presence of various bases; dropwise or simultaneous addition; |
hexane
A
3-bromohexane
B
1-bromo-hexane
C
2-bromohexane
Conditions | Yield |
---|---|
With N-bromo-2,2,6,6-tetramethylpiperidinium perchlorate In trifluoroacetic acid at 5℃; for 8h; Product distribution; Mechanism; Irradiation; different N-bromoammonium perchlorate derivatives; | |
With N-bromo-2,2,6,6-tetramethylpiperidinium perchlorate In trifluoroacetic acid at 5℃; for 8h; Irradiation; Yield given. Yields of byproduct given; | |
With bromine; sodium t-butanolate In cyclohexane Heating; Title compound not separated from byproducts; | |
With N-bromo-N-(t-butyl)-3,5-bis(trifluoromethyl)benzamide In benzene at 20℃; for 4h; Sealed tube; Irradiation; Inert atmosphere; Overall yield = 66.1 %Chromat.; |
Bromotrichloromethane
2-(hexyloxy)-1,3-dioxolane
A
[1,3]-dioxolan-2-one
B
1-bromo-hexane
C
formic acid-(2-bromo-ethyl ester)
D
hexanal
F
1,2-dibromomethane
Conditions | Yield |
---|---|
dibenzoyl peroxide at 90℃; for 2h; Rate constant; Product distribution; |
Conditions | Yield |
---|---|
With trimethylsilyl bromide for 168h; Heating; Yield given; |
n-octyne
trihexylaluminium
A
1-bromo-hexane
B
6-methylenetridecane
C
(E)-7-tetradecene
Conditions | Yield |
---|---|
With copper(I) bromide In hexane 1.) -78 deg C, 2 h, 2.) 20 deg C, 4 h; | A 2.0 % Chromat. B 57.6 % Chromat. C 5.8 % Chromat. |
hexanoxytrimethylsilane
1-bromo-hexane
Conditions | Yield |
---|---|
With trimethylsilyl bromide for 168h; Heating; Yield given; |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; bromine; bis(cyclopentadienyl)titanium dichloride 1.) THF; Yield given. Multistep reaction; |
trihexylorthoformate
A
dodecane
B
hexyl formate
C
hexane
D
1-bromo-hexane
E
di-hexyl carbonate
F
hexanal
Conditions | Yield |
---|---|
With Perbenzoic acid; Bromoform at 89.9℃; Product distribution; Rate constant; Mechanism; other temperatures: 353 deg K; other peroxide: t-butyl peroxide; |
n-hexyl mercury chloride
1-bromo-hexane
Conditions | Yield |
---|---|
With Bromotrichloromethane In benzene at 45℃; for 36h; Irradiation; | 56 % Spectr. |
Conditions | Yield |
---|---|
With bromine In dichloromethane -70 deg C to r.t.; | A 10 % Chromat. B 62 % Chromat. |
hexyl 3-methylcyclohexa-1,4-diene-3-carboxylate
A
1-bromo-hexane
B
hexyl benzoate
C
toluene
Conditions | Yield |
---|---|
With N-Bromosuccinimide; (PhCO2)2O In tetrachloromethane for 16h; Product distribution; Heating; other cyclohexa-1,4-diene-3-carboxylates, 2,5-dihydrofuran-2-carboxylates; | A 3 % Chromat. B 2 % Chromat. C 7 % Chromat. |
With N-Bromosuccinimide; dilauryl peroxide In tetrachloromethane for 5h; Mechanism; Product distribution; | A 7 % Chromat. B 4 % Chromat. C 3 % Chromat. |
sulfuric acid
hexan-1-ol
A
1-bromo-hexane
B
2-bromohexane
1-bromo-hexane
Conditions | Yield |
---|---|
With tetrachloromethane; bromine | |
With tetrachloromethane; bromine |
hexane
bromine
A
3-bromohexane
B
1-bromo-hexane
C
2-bromohexane
Conditions | Yield |
---|---|
im Sonnenlichte bei Siedetemperatur; |
Conditions | Yield |
---|---|
With potassium hydroxide; potassium iodide In ethanol for 32h; Heating; | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 130℃; for 20h; | 99% |
Stage #1: salicylaldehyde With sodium carbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 1-bromo-hexane In N,N-dimethyl-formamide at 20℃; for 24h; | 75.3% |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 20 - 50℃; for 2.16667h; Inert atmosphere; | 100% |
With ethanol; sodium ethanolate | |
With potassium hydroxide | |
cetyltributylphosphonium bromide | |
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 12h; |
Conditions | Yield |
---|---|
In toluene for 8h; Reflux; | 100% |
In acetonitrile for 16h; Heating; | 95.6% |
In toluene for 120h; Heating; | 92% |
2-morpholino-3-pentenenitrile
1-bromo-hexane
2-hexyl-2-morpholino-3-pentenenitrile
Conditions | Yield |
---|---|
With lithium diisopropyl amide In tetrahydrofuran | 100% |
Conditions | Yield |
---|---|
With potassium hydroxide; Aliquat 336 In 1,2-dimethoxyethane for 24h; Heating; | 100% |
In ethanol Etherification; Heating; |
1-bromo-hexane
3-(tetrahydropyran-2'-yloxy)propyne
non-2-ynyl tetrahydropyran-2-yl ether
Conditions | Yield |
---|---|
Stage #1: 3-(tetrahydropyran-2'-yloxy)propyne With n-butyllithium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at -78℃; Stage #2: 1-bromo-hexane In tetrahydrofuran | 100% |
With sodium amide | |
With n-butyllithium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane Ambient temperature; | |
With ammonium chloride; lithium; iron(III) chloride In ammonia |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20h; Williamson ether synthesis; | 100% |
Stage #1: 4-hydroxy-benzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 1h; Stage #2: 1-bromo-hexane In N,N-dimethyl-formamide at 80℃; Inert atmosphere; | 99% |
With potassium carbonate In acetonitrile Reflux; | 96% |
Conditions | Yield |
---|---|
In potassium carbonate | 100% |
With sodium hydride In N,N-dimethyl-formamide 1.) rt, 1 h, 2.) reflux, 12 h; | 90% |
With potassium carbonate In cyclohexanone for 24h; Heating; | 70% |
1-bromo-hexane
Conditions | Yield |
---|---|
With sodium hydride; potassium iodide In N,N-dimethyl-formamide at 80℃; for 48h; Etherification; | 100% |
4,4'-dichlorodiphenyl disulfide
1-bromo-hexane
n-Hexyl-p-chlorphenylsulfid
Conditions | Yield |
---|---|
Stage #1: 4,4'-dichlorodiphenyl disulfide With aluminium trichloride; zinc In water; N,N-dimethyl-formamide at 65℃; S-S bond cleavage; Stage #2: 1-bromo-hexane In water; N,N-dimethyl-formamide at 65℃; for 18h; Substitution; | 100% |
With aluminium trichloride; zinc In water; N,N-dimethyl-formamide at 65℃; for 18h; | 100 % Chromat. |
1-methyl-1H-imidazole
1-bromo-hexane
1-hexyl-3-methyl-1-imidazolium bromide
Conditions | Yield |
---|---|
at 140℃; Continuous flow; neat (no solvent); | 100% |
In dichloromethane at 20℃; for 0.25h; Cooling with ice; | 99.87% |
In toluene at 65℃; for 5h; | 98% |
Conditions | Yield |
---|---|
Stage #1: 9H-fluorene With n-butyllithium In tetrahydrofuran at -78℃; Stage #2: 1-bromo-hexane In tetrahydrofuran at -78 - 20℃; for 12h; Further stages.; | 100% |
With tetra-(n-butyl)ammonium iodide; sodium hydroxide | 100% |
Stage #1: 9H-fluorene With n-butyllithium In tetrahydrofuran at -78℃; for 0.75h; Stage #2: 1-bromo-hexane In tetrahydrofuran at -78 - 20℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dimethyl sulfoxide | 100% |
Stage #1: 2-bromo-9H-fluorene With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 0.25h; Inert atmosphere; Stage #2: 1-bromo-hexane In N,N-dimethyl-formamide at 60℃; Inert atmosphere; | 100% |
Stage #1: 2-bromo-9H-fluorene With potassium iodide; potassium hydroxide In dimethyl sulfoxide for 0.333333h; Heating; Inert atmosphere; Stage #2: 1-bromo-hexane In dimethyl sulfoxide at 20℃; for 3.6h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: truxene With n-butyllithium In tetrahydrofuran at -78℃; for 2h; Stage #2: 1-bromo-hexane In tetrahydrofuran at -78 - 20℃; | 100% |
Stage #1: truxene With n-butyllithium In tetrahydrofuran at -78℃; for 2h; Inert atmosphere; Stage #2: 1-bromo-hexane In tetrahydrofuran at 20℃; Inert atmosphere; | 95% |
Stage #1: truxene With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 2.5h; Inert atmosphere; Stage #2: 1-bromo-hexane In tetrahydrofuran; hexane at -78 - 20℃; for 12h; | 95% |
1-bromo-hexane
2-(trifluoromethyl)phenol
1-(hexyloxy)-2-(trifluoromethyl)benzene
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 2.5h; | 100% |
With potassium carbonate In various solvent(s) Heating; | 75% |
Conditions | Yield |
---|---|
at 110℃; Continuous flow; neat (no solvent); | 100% |
Microwave irradiation; | 82.6% |
In tetrahydrofuran at 60℃; for 48h; | 51.63% |
Conditions | Yield |
---|---|
at 100℃; for 48h; | 100% |
Conditions | Yield |
---|---|
at 100℃; for 48h; | 100% |
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 140℃; Microwave irradiation; | 100% |
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 140℃; Microwave irradiation; | 100% |
1-bromo-hexane
6-Hydroxy-1-tetralone
6-(hexyloxy)-3,4-dihydronaphthalen-1(2H)-one
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 85℃; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 48h; Reflux; | 100% |
1-bromo-hexane
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
2-(4-(hexyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Conditions | Yield |
---|---|
With potassium carbonate at 120℃; for 11h; Inert atmosphere; | 100% |
With potassium carbonate In acetone Reflux; | 64% |
With tetra-(n-butyl)ammonium iodide; potassium carbonate In tetrahydrofuran for 3h; Reflux; |
1-bromo-hexane
tert-butyl 3-{7-fluoro-6-hydroxy-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-yl}propanoate
tert-butyl 3-{7-fluoro-6-(hexyloxy)-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-yl}propanoate
Conditions | Yield |
---|---|
Stage #1: 1-bromo-hexane; tert-butyl 3-{7-fluoro-6-hydroxy-2H-spiro[1-benzofuran-3,4'-piperidine]-1'-yl}propanoate With potassium carbonate In acetonitrile at 75℃; Stage #2: In acetonitrile | 100% |
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N-dimethyl-formamide at 80℃; for 4h; | 100% |
With potassium carbonate In acetonitrile for 24h; Reflux; | 84% |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at 50℃; | 100% |
With sodium hydride In tetrahydrofuran at 50℃; Reflux; |
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 110℃; for 16h; | 100% |
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 20℃; | 100% |
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; | 100% |
1-bromo-hexane
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N-dimethyl-formamide at 40℃; | 100% |
The 1-Bromo hexane, with the CAS registry number 111-25-1, is also known as n-Hexyl bromide. It belongs to the product categories of Industrial/Fine Chemicals; Intermediates; Alkyl Bromide; Bromine Compounds; Alkyl Bromides; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS registry number is 203-850-2. This chemical's molecular formula is C6H13Br and molecular weight is 165.07. What's more, its IUPAC name is the same with its product name. It is a liquid organohalide and its refractive index is 1.4478 (20 °C, D). This chemical can be prepared by Bromine with Heptanoic acid and this reaction needs reagent perchloromethane. It should be kept in a cold and dry place.
Physical properties about 1-Bromo hexane are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 458.84; (6)ACD/BCF (pH 7.4): 458.84; (7)ACD/KOC (pH 5.5): 2797.84; (8)ACD/KOC (pH 7.4): 2797.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 37.57 cm3; (15)Molar Volume: 140.7 cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Density: 1.172 g/cm3; (18)Flash Point: 57.2 °C; (19) Enthalpy of Vaporization: 37.55 kJ/mol ; (20)Boiling Point: 154.9 °C at 760 mmHg; (21) Vapour Pressure: 4 mmHg at 25 °C.
Uses of 1-Bromo hexane: (1) it is used as solvents and organic synthesis intermediates; (2) it is used to manufacture pharmaceuticals and organic. For example, it can react with Piperidine to get 1-Hexyl-piperidine. The reaction occurs with reagent potassium carbonate, solvent butan-2-one and other condition of heating for 7 hours. The yield is 83 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. What's more, it's flammable. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCC
(2) InChI: InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
(3) InChIKey: MNDIARAMWBIKFW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LC50 | inhalation | 13600mg/m3 (13600mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974. | |
mouse | LD50 | intraperitoneal | 1226mg/kg (1226mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976. | |
rat | LC50 | inhalation | 550gm/m3/30M (550000mg/m3) | Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 7, Pg. 35, 1975. |
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