Conditions | Yield |
---|---|
With Triethoxysilane; potassium fluoride at 25℃; for 20h; | 100% |
With Triethoxysilane; 1,3-Diphenylpropanone; potassium fluoride at 25℃; for 7h; | 100% |
With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 25℃; for 6h; Inert atmosphere; Glovebox; Sealed tube; | 98% |
1-<(tert-butyldimethylsilyl)oxy>heptane
n-heptan1ol
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran for 21h; Ambient temperature; | 100% |
With methanol at 20℃; for 2h; | 100% |
sulfonic acid functionalized nanoporous silica In methanol at 35℃; for 1.2h; | 93% |
With water; 2,3-dicyano-5,6-dichloro-p-benzoquinone In ethyl acetate at 20 - 25℃; for 26h; | 14% |
2-(heptyloxy)tetrahydro-2H-pyran
n-heptan1ol
Conditions | Yield |
---|---|
With methanol; Montmorillonite K-10 clay at 20℃; Methanolytic deprotection; | 97% |
With bismuth(lll) trifluoromethanesulfonate In methanol for 0.0833333h; Heating; | 97% |
With Oxone In methanol for 1.25h; Heating; | 82% |
With bismuth(lll) trifluoromethanesulfonate In methanol; N,N-dimethyl-formamide at 110℃; for 24h; | 67% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; palladium diacetate In methanol at 20℃; for 1h; | 96% |
heptanol trimethylsilyl ether
n-heptan1ol
Conditions | Yield |
---|---|
With Oxone In methanol for 0.15h; Heating; | 95% |
With Nafion-H(R); silica gel In hexane at 20℃; for 0.416667h; | 95% |
With ethylenebis(N-methylimidazolium) chlorochromate In acetonitrile for 1h; Reflux; | 92% |
Conditions | Yield |
---|---|
In toluene for 24h; Alkylation; reduction; Title compound not separated from byproducts.; | A 95% B 2% |
Conditions | Yield |
---|---|
With hydrogen In ethanol; benzene | 95% |
n-heptan1ol
Conditions | Yield |
---|---|
With silica gel In methanol at 50℃; for 3h; | 95% |
With methanol; silica gel at 50℃; for 3h; | 82% |
With hydrogenchloride In water | |
With methanol; silica gel at 50℃; for 1.91667h; | 88 %Spectr. |
n-heptan1ol
Conditions | Yield |
---|---|
With whole cell cultures of dichomitus albidofuscus at 24℃; for 96h; Darkness; Microbiological reaction; | 95% |
heptyl 4-methylbenzenesulfinate
A
1-Bromoheptane
B
n-heptan1ol
C
1,2-dibromoheptane
D
toluene-p-sulfonyl bromide
Conditions | Yield |
---|---|
With bromine In chloroform for 2.5h; Ambient temperature; | A 89 % Chromat. B 3 % Chromat. C 1 % Chromat. D 94% |
Conditions | Yield |
---|---|
With potassium hydroxide; tetrafluoroboric acid; sodium hydrogencarbonate; mercury(II) oxide In tetrahydrofuran 1.) room temp., 3 h; | 93% |
With water; tetra-(n-butyl)ammonium iodide; caesium carbonate In dimethyl sulfoxide at 100℃; for 24h; Schlenk technique; | 58% |
With water; tetra-(n-butyl)ammonium iodide; caesium carbonate; dimethyl sulfoxide at 100℃; for 24h; Schlenk technique; Sealed tube; | 58% |
1-heptyl 4-methylbenzenesulfonate
n-heptan1ol
Conditions | Yield |
---|---|
With cerium(III) chloride; sodium iodide In acetonitrile for 4h; tosylate cleavage; Heating; | 90% |
Conditions | Yield |
---|---|
In toluene for 0.166667h; Alkylation; reduction; dimerization; Title compound not separated from byproducts.; | A 90% B 3% C 2% |
methoxymethyl heptyl ether
n-heptan1ol
Conditions | Yield |
---|---|
phosphotungstic acid In ethanol for 3.5h; Heating; | 90% |
Conditions | Yield |
---|---|
With N-methylpyrrolidine zinc borohydride In tetrahydrofuran at 20℃; for 1.16667h; | 89% |
Conditions | Yield |
---|---|
With tert-butyl alcohol In tetrahydrofuran electrolysis (Mg electrodes, LiClO4); | 88% |
With tert-butyl alcohol In tetrahydrofuran Product distribution; Mechanism; electrolysis (Mg electrodes, LiClO4); or Al electrodes; | 88% |
With 5 wt% Re/TiO2; hydrogen In octane at 180℃; under 37503.8 Torr; for 24h; Autoclave; chemoselective reaction; | 85% |
Conditions | Yield |
---|---|
With (CH3C6H4CH(CH3)2)RuCl((NH2)2C6H4)(1+)*Cl(1-)={(CH3C6H4CH(CH3)2)RuCl((NH2)2C6H4)}Cl; water In 1,4-dioxane at 105℃; for 20h; Schlenk technique; Inert atmosphere; | A n/a B 87% |
bei der Einw.von Schweineleber-Brei; | |
With water; NADPH at 25℃; for 18h; pH=9; aq. buffer; Enzymatic reaction; |
Conditions | Yield |
---|---|
dodecacarbonyl-triangulo-triruthenium; P(C4H9)3 In pyridine at 180℃; for 10h; | 86% |
ethoxymethyl heptyl ether
n-heptan1ol
Conditions | Yield |
---|---|
phosphotungstic acid In ethanol for 3.5h; Heating; | 86% |
Conditions | Yield |
---|---|
With bis(acetylacetonate)oxovanadium; methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate at 120℃; for 48h; | A 79% B 86% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In tetrahydrofuran; hexane at -78℃; for 0.166667h; | 85% |
Conditions | Yield |
---|---|
In toluene for 0.166667h; Alkylation; reduction; dimerization; Title compound not separated from byproducts.; | A 85% B 9% C 2% |
heptyl boronic acid
n-heptan1ol
Conditions | Yield |
---|---|
With dihydrogen peroxide at 30℃; for 5h; Green chemistry; | 85% |
Conditions | Yield |
---|---|
With methanol; sodium tetrahydroborate In tetrahydrofuran for 1h; Ambient temperature; | A 84% B 78% |
With sodium tetrahydroborate; nickel dichloride In diethylene glycol dimethyl ether for 1h; Product distribution; Ambient temperature; other symmetric and mixed anhydrides of carboxylic acids and carboxylic carbonic anhydrides; | A 78% B 80% |
Conditions | Yield |
---|---|
With tert-butyl alcohol In tetrahydrofuran electrolysis (Mg electrodes, LiClO4); | 82% |
(E)-1-ethoxyhept-1-ene
n-heptan1ol
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; Benzyltriethylammonium borohydride; oxygen In dichloromethane at 0℃; for 6h; | 80% |
Conditions | Yield |
---|---|
With sodium periodate; C18H15ClFN2Ru(1+)*Cl(1-) In water; tert-butyl alcohol at 60℃; for 1h; Catalytic behavior; Schlenk technique; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
Stage #1: 1-Heptene With sodium tetrahydroborate; malonic acid In tetrahydrofuran at 60℃; for 5h; Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran; water at 40 - 50℃; for 2h; Further stages.; | 79.5% |
Multi-step reaction with 2 steps 2: NaOH; H2O2 View Scheme |
Conditions | Yield |
---|---|
With 1-Phenylprop-1-yne; copper In tetrahydrofuran at 80℃; for 12h; | 76% |
Conditions | Yield |
---|---|
With oxygen; potassium carbonate In water at 50℃; for 24h; Green chemistry; | 100% |
With 4-methoxy-TEMPO; sodium hypochlorite; Aliquat 336; potassium bromide In dichloromethane; water at 0℃; for 0.0833333h; pH = 8.6; | 96% |
With dichloro(1,5-cyclooctadiene)ruthenium(II); C30H30N3P2(1+)*Cl(1-); potassium hydroxide In toluene at 120℃; for 24h; Time; Inert atmosphere; Schlenk technique; | 95% |
Conditions | Yield |
---|---|
potassium hydrogencarbonate at 180℃; for 1h; | 100% |
With potassium formate at 180℃; |
Conditions | Yield |
---|---|
potassium thioacyanate at 180℃; for 0.5h; | 100% |
With potassium thioacyanate at 180℃; |
Conditions | Yield |
---|---|
potassium phthalate at 180℃; for 0.3h; | 100% |
With potassium formate at 180℃; |
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction; | 100% |
With diphenylphosphinopolystyrene; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 4h; | 90% |
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction; | 100% |
With diphenylphosphinopolystyrene; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 4h; | 84% |
Conditions | Yield |
---|---|
K5 In acetonitrile at 20℃; for 0.416667h; | 100% |
With boron trifluoride diethyl etherate In ethyl acetate for 0.00138889h; | 100% |
With bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.0833333h; | 99% |
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Solvent; Enzymatic reaction; | 100% |
With 4-nitro-diphenylammonium triflate In toluene at 80℃; for 30h; | 95% |
With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran) In neat (no solvent) at 80℃; Sealed tube; Green chemistry; chemoselective reaction; | 90% |
Conditions | Yield |
---|---|
With CuI; caesium carbonate In dodecane | 100% |
With CuI; caesium carbonate In dodecane; toluene | 68% |
With CuI; caesium carbonate In dodecane | 18% |
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction; | 100% |
With 25 wtpercent H3PO4/ZrO2-TiO2 at 130℃; for 1.75h; Neat (no solvent); chemoselective reaction; | 80% |
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction; | 100% |
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction; | 100% |
n-heptan1ol
4-trifluoromethylbenzoic acid
heptyl 4-(trifluoromethyl)benzoate
Conditions | Yield |
---|---|
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction; | 100% |
diethylphosphonoacetic acid
n-heptan1ol
heptyl 2-(diethoxyphosphoryl)acetate
Conditions | Yield |
---|---|
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate; toluene at 20℃; for 4h; Inert atmosphere; | 100% |
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate; toluene at 20℃; for 4h; Inert atmosphere; |
n-heptan1ol
3,4,6-tri-O-acetyl-2-deoxy-2-fluoro-α-D-mannopyranosyl trichloroacetimidate
Conditions | Yield |
---|---|
Stage #1: n-heptan1ol; 3,4,6-tri-O-acetyl-2-deoxy-2-fluoro-α-D-mannopyranosyl trichloroacetimidate In dichloromethane at 20℃; for 0.5h; Molecular sieve; Inert atmosphere; Stage #2: With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 20℃; for 2h; Molecular sieve; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With pyridine chromium peroxide In dichloromethane for 1.25h; Ambient temperature; | 99% |
With polymeric complex of oxodiperoxochromium(VI) compound and pyrazine (Pyz-CrO5)n In dichloromethane for 1.5h; Ambient temperature; | 99% |
With pyridine chromium peroxide In dichloromethane for 1.25h; Product distribution; Ambient temperature; effect of various chromium(VI) based oxidants; | 99% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0℃; | 99% |
With triethylamine In dichloromethane at 0 - 20℃; | 99% |
With pyridine at 0℃; | |
With triethylamine In chloroform at 0 - 5℃; for 0.25h; |
Conditions | Yield |
---|---|
With bismuth(lll) trifluoromethanesulfonate at 20℃; for 0.5h; | 99% |
With K5 for 0.5h; Heating; | 98% |
With zinc(II) oxide for 3h; Reflux; | 73% |
Conditions | Yield |
---|---|
With iodine at 20℃; for 1h; Inert atmosphere; | 99% |
Stage #1: formic acid With silica gel at 20℃; for 0.0166667h; Stage #2: n-heptan1ol With silica gel at 110℃; for 0.05h; | 94% |
n-heptan1ol
di(n-butyl)tin oxide
1,1,3,3-tetra-n-butyl-1,3-diheptyloxydistannoxane
Conditions | Yield |
---|---|
at 150℃; for 8h; Inert atmosphere; Industry scale; | 99% |
at 150℃; under 760.051 Torr; for 8.5h; Inert atmosphere; Industry scale; | 99 %Spectr. |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 55℃; under 760.051 Torr; for 1h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With Co2Rh2 nanoparticles immobilized on charcoal at 140℃; for 24h; Schlenk technique; Inert atmosphere; Green chemistry; chemoselective reaction; | 99% |
Conditions | Yield |
---|---|
With Co2Rh2 nanoparticles immobilized on charcoal at 165℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry; chemoselective reaction; | 99% |
Conditions | Yield |
---|---|
With C26H42ClN2Ru(1+)*F6P(1-); potassium hydroxide In toluene at 120℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With diphenylammonium trifluoromethanesulfonate In toluene at 80℃; for 6h; | 98.3% |
With sulfuric acid In toluene Fischer-Speier Esterification; Heating; | 76% |
With toluene-4-sulfonic acid In benzene Heating; |
Conditions | Yield |
---|---|
With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 6h; Solvent; | 98% |
With N-Bromosuccinimide; L-proline In water at 20℃; for 1h; | 97% |
With sodium bromate; sulfuric acid; sodium bromide In water at 20℃; for 24h; | 97% |
Conditions | Yield |
---|---|
With tetrabutoxytitanium at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale; | 98% |
With sulfuric acid at 150 - 200℃; |
n-heptan1ol
4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline
4-Heptyloxy-2-(4-methyl-piperazin-1-yl)-quinazoline
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide | 98% |
IUPAC Name: Heptan-1-ol
Molecular Formula: C7H16O
Molecular Weight: 116.23g/mol
EINECS: 203-897-9
Melting Point: -35 ºC
Freely Rotating Bonds: 6
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.422
Molar Refractivity: 36.01 cm3
Molar Volume: 141.5 cm3
Polarizability: 14.27× 10-24cm3
Surface Tension: 28.5 dyne/cm
Density: 0.82 g/cm3
Flash Point: 73.9 °C
Enthalpy of Vaporization: 48.1 kJ/mol
Boiling Point: 176.9 °C at 760 mmHg
Vapour Pressure: 0.325 mmHg at 25°C
The Cas Register Number of 1-Heptanol is 111-70-6 .The chemical synonyms of 1-Heptanol (CAS No.111-70-6) are N-Heptanol ; N-Heptyl alcohol ; Alcohol c7 ; 1-Heptanol ; 1-Heptanol alcohol ; Heptyl alcohol ; Heptan-1-ol ; Heptanol .Product categories of 1-Heptanol (CAS No.111-70-6) are 1-Alkanols ; Monofunctional & Alpha,omega-bifunctional Alkanes ; Monofunctional alkanes .The molecular structure of 1-Heptanol (CAS No.111-70-6) is.
1-Heptanol is commonly used in cardiac electrophysiology experiments to block gap junctions and increase axial resistance between myocytes.Because of it has a pleasant smell ,so it is used in cosmetics for its fragrance.
1. | ratLD50:500mg/kg | Archives des Maladies Professionnelles de Medecine du Travail et de SecuriteSociale.Vol. 35, Pg. 501, 1974. | ||
2. | rabbitLD50:2gm/kg | Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 501, 1974. | ||
3. | mouseLD50:1500mg/kg | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31, Pg. 16, 1966. | ||
4. | mammal (species unspecified)LD50:4350mg/kg | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. |
Hazard Codes: Xn
Risk Statements: 20/21/22-36
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36: Irritating to eyes.
Safety Statements: 36-36/37/39-26
S36: Wear suitable protective clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 2810
WGK Germany: 1
RTECS: MK0350000
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29051900
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