Conditions | Yield |
---|---|
With hydrogen In water at 100℃; under 15001.5 Torr; for 1h; | 100% |
With hydrogen In water at 100℃; under 22502.3 Torr; for 3h; | 99% |
With hydrogen; tetra(n-butyl)ammonium hydrogensulfate; rhodium colloidal catalyst In water at 36℃; under 180018 Torr; for 62h; pH=7.5; Catalytic hydrogenation; | 73% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In methanol at 0 - 25℃; for 2h; | 100% |
With isopropyl alcohol; zirconium(IV) oxide for 6h; Heating; | 99% |
With isopropyl alcohol; zirconium(IV) oxide for 6h; Rate constant; Heating; | 99% |
Conditions | Yield |
---|---|
With hydrogen In water at 100℃; under 15001.5 Torr; for 1h; | 100% |
With hydrogen In water at 75℃; under 22502.3 Torr; for 10h; Autoclave; Sealed tube; Ionic liquid; chemoselective reaction; | 100% |
With hydrogen at 180℃; under 150015 Torr; for 10h; Conversion of starting material; | |
With hydrogen In water at 30℃; under 22502.3 Torr; for 1h; Autoclave; chemoselective reaction; | |
With hydrogen In water at 30℃; for 19h; Autoclave; |
Conditions | Yield |
---|---|
With samarium diiodide; hexanal; samarium(III) trifluoromethanesulfonate In tetrahydrofuran; methanol; potassium hydroxide at 20℃; for 0.075h; Reduction; | 99% |
With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane for 14h; Ambient temperature; | 94% |
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h; | 93% |
(tetrahydropyranoxymethyl)-cyclohexane
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
Nafion-H In methanol for 4h; | 99% |
Conditions | Yield |
---|---|
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h; | 99% |
With hydrogen In hexane at 130℃; under 15001.5 Torr; for 18h; Molecular sieve; chemoselective reaction; | 72 %Chromat. |
With hydrogen In water at 220℃; under 37503.8 Torr; for 24h; Autoclave; | 94.6 %Chromat. |
Conditions | Yield |
---|---|
With methanol; potassium permanganate; trimethylsulphonium iodide at 25℃; under 760.051 Torr; chemoselective reaction; | 99% |
With ((N-((6-((di-tert-butylphosphino)methyl)pyridin-2-yl)methyl)-2-methylpropan-2-amine))CoCl2; potassium tert-butylate; hydrogen; sodium triethylborohydride In tetrahydrofuran at 130℃; under 37503.8 Torr; for 48h; Inert atmosphere; Autoclave; High pressure; | 51 %Chromat. |
With C21H35BrMnN2O2P; hydrogen; potassium hydride; 1,3,5-trimethyl-benzene In toluene at 100℃; under 15001.5 Torr; for 43h; Autoclave; Inert atmosphere; | 99 %Spectr. |
Conditions | Yield |
---|---|
With C66H102N4OP2Ru; hydrogen In toluene at 105℃; under 22502.3 Torr; for 20h; Inert atmosphere; Glovebox; | A n/a B 99% |
With C30H37ClN4ORu; hydrogen; sodium t-butanolate In toluene at 105℃; under 4500.45 Torr; for 20h; Glovebox; Sealed tube; Overall yield = 99 %; |
Conditions | Yield |
---|---|
With C66H102N4OP2Ru; hydrogen In toluene at 105℃; under 22502.3 Torr; for 20h; Inert atmosphere; Glovebox; | A n/a B 99% |
With C30H37ClN4ORu; hydrogen; sodium t-butanolate In toluene at 105℃; under 4500.45 Torr; for 20h; Glovebox; Sealed tube; Overall yield = >99 %; |
methyl cyclohex-1-ene-1-carboxylate
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With C13H34BFeNOP2; hydrogen In tetrahydrofuran at 100℃; under 22502.3 Torr; for 18h; Autoclave; Inert atmosphere; | 98% |
With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amine](borohydride)(carbonyl)(hydride)iron(II); hydrogen In tetrahydrofuran at 120℃; under 22502.3 Torr; for 19h; Autoclave; | 85 %Chromat. |
3-hydroxymethylcyclohexene
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With hydrogen; nickel In ethanol at 20℃; under 18240 Torr; for 1.5h; | 97% |
With formic acid In water at 140℃; under 3750.38 Torr; for 4h; Inert atmosphere; |
aniline
cyclohexanecarbaldehyde
A
N-(cyclohexylmethyl)aniline
B
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
Stage #1: aniline; cyclohexanecarbaldehyde at 25℃; for 0.166667h; Stage #2: With sodium tetrahydroborate; benzoic acid at 25℃; for 0.333333h; | A 97% B n/a |
Stage #1: cyclohexanecarbaldehyde at 40℃; for 0.166667h; Stage #2: aniline With sodium tetrahydroborate at 40℃; for 3h; Stage #3: With methanol at 0℃; for 0.5h; chemoselective reaction; |
S-phenyl cyclohexanecarbothioate
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol for 19h; Ambient temperature; | 96% |
Conditions | Yield |
---|---|
With butyltriphenylphosphonium tetrahydroborate at 20℃; for 0.0333333h; | 96% |
With zinc(II) tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; diethyl ether at 0℃; for 5h; | 93% |
With zinc(II) tetrahydroborate; N,N,N,N,-tetramethylethylenediamine In diethyl ether at 0℃; for 6h; | 93% |
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 20 °C / Inert atmosphere 2: sodium 2-methyl-2-adamantoxide; sodium hydride; dichlorobis(dicyclohexylphosphinomethylpyridine)-ruthenium (II); hydrogen / toluene; mineral oil / 48 h / 160 °C / 60006 Torr / Inert atmosphere; Autoclave View Scheme |
Conditions | Yield |
---|---|
With dimethylsulfide borane complex In 2-methyltetrahydrofuran at 90℃; under 7500.75 Torr; for 0.333333h; Inert atmosphere; Flow reactor; | 95% |
Stage #1: methyl cyclohexylcarboxylate With 3-phenyl-propionaldehyde; diethylaluminum benzenethiolate In hexane; toluene at -78℃; for 1.08333h; Inert atmosphere; Stage #2: With diisobutylaluminium hydride In hexane; toluene at -78 - 0℃; Inert atmosphere; Stage #3: With hydrogenchloride In hexane; water; toluene at 0℃; chemoselective reaction; | 93% |
With C18H28Br2N4Ru; potassium tert-butylate; hydrogen In 1,4-dioxane at 105℃; under 22502.3 Torr; for 8h; | 93% |
cyclohexylmethyl trifluoroacetate
A
2,2,2-trifluoroethanol
B
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 48h; Glovebox; Inert atmosphere; | A 95% B n/a |
With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen In toluene at 110℃; under 52505.3 Torr; for 17h; Catalytic behavior; Solvent; Temperature; Inert atmosphere; Glovebox; |
4-methoxy-aniline
cyclohexanecarbaldehyde
A
N-cyclohexylmethyl-p-anisidine
B
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
Stage #1: 4-methoxy-aniline; cyclohexanecarbaldehyde at 25℃; for 0.166667h; Stage #2: With sodium tetrahydroborate; boric acid at 25℃; for 0.333333h; | A 94% B n/a |
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With sodium hydroxide In water Inert atmosphere; | 94% |
Conditions | Yield |
---|---|
With ethylmagnesium bromide; poly(methylhydrosiloxane); bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran; diethyl ether for 5h; Ambient temperature; | 93% |
With lithium borohydride In diethyl ether; toluene at 100℃; for 1h; | 91% |
With potassium borohydride; hafnium tetrachloride In tetrahydrofuran at 40℃; for 10.5h; Inert atmosphere; Cooling with ice; | 86% |
cyclohex-3-enylmethanol
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
Stage #1: cyclohex-3-enylmethanol With pyridinium p-toluenesulfonate In 1,2-dichloro-ethane at 80℃; for 20h; Stage #2: With triethylamine In dichloromethane at 20℃; for 6h; Stage #3: With trifluoroacetic acid In methanol; dichloromethane at 140℃; for 0.0666667h; microwave irradiation; Further stages.; | 93% |
Multi-step reaction with 2 steps 1: 66 percent / 4-dimethylaminopyridine; Et3N / CH2Cl2 / 24 h / 20 °C 2: 74 percent / H2 / Pd/C / methanol / 24 h / 20 °C View Scheme |
Conditions | Yield |
---|---|
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); water; hydrogen In 1,4-dioxane at 140℃; under 7500.75 Torr; for 18h; Autoclave; | 93% |
With formaldehyd; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In water; toluene at 90℃; | 87% |
Conditions | Yield |
---|---|
With mer-[(1,4-bis(diphenylphosphino)butane)aquatrichlororuthenium(III)]; hydrogen In tetrahydrofuran at 160℃; under 67506.8 Torr; for 24h; Catalytic behavior; | 92% |
With dodecacarbonyl-triangulo-triruthenium; 2-(dicyclohexylphosphino)-1-methyl-1H-imidazole; water; hydrogen; lithium chloride In 1-methyl-pyrrolidin-2-one at 130℃; under 60 Torr; for 20h; Autoclave; regioselective reaction; | 76% |
With [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); 2-(dicyclohexylphosphanyl)-1-(2-methoxyphenyl)-1H-imidazole; hydrogen In toluene at 160℃; under 37503.8 Torr; for 24h; Autoclave; Inert atmosphere; regioselective reaction; | 51% |
With hydrogen; cobalt(II) acetylacetonate dihydrate at 99.9℃; under 84756.7 Torr; for 7h; |
cyclohexylcarboxamide
A
cyclohexylmethylamine
B
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With hydrogen at 160℃; under 75007.5 Torr; | A 91% B 8% |
With dodecacarbonyl-triangulo-triruthenium; hydrogen; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; Inert atmosphere; | |
With hydrogen In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; | |
With 5 wt% ruthenium/carbon; water; hydrogen at 59.84℃; under 60006 Torr; for 4h; Reagent/catalyst; Autoclave; Sealed tube; |
Conditions | Yield |
---|---|
With C24H20ClN2OPRu; potassium tert-butylate; hydrogen In tetrahydrofuran at 110℃; under 10640.7 Torr; for 36h; Inert atmosphere; Schlenk technique; | 91% |
With hydrogen In toluene at 160℃; under 45004.5 Torr; for 15h; Catalytic behavior; Autoclave; | 76% |
With water; hydrogen at 59.84℃; under 60006 Torr; for 48h; Reagent/catalyst; Temperature; Concentration; Pressure; Autoclave; Sealed tube; | |
Multi-step reaction with 2 steps 1: hydrogen; water / 4 h / 59.84 °C / 60006 Torr / Autoclave; Sealed tube 2: hydrogen / water / 24 h / 59.84 °C / 60006 Torr View Scheme |
S-benzyl cyclohexanecarbothioate
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol for 24h; Ambient temperature; | 90% |
cyclohexylmethyl trimethylsilyl ether
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
With Nafion-H(R); silica gel In hexane at 20℃; for 0.333333h; | 90% |
Conditions | Yield |
---|---|
With C30H26Cl2N3PRu; hydrogen; sodium ethanolate In toluene at 80℃; under 38002.6 Torr; for 16h; Catalytic behavior; Autoclave; Inert atmosphere; Schlenk technique; | 90% |
benzoic acid methyl ester
A
methyl cyclohexylcarboxylate
B
cyclohexylmethyl alcohol
C
benzyl alcohol
Conditions | Yield |
---|---|
With hydrogen; Aliquat 336; rhodium(III) chloride In water; 1,2-dichloro-ethane at 30℃; under 760 Torr; for 5h; | A 89% B 10 % Chromat. C 1% |
With hydrogen; Aliquat 336; rhodium(III) chloride In water; 1,2-dichloro-ethane at 30℃; under 760 Torr; for 5h; | A 89 % Chromat. B 10% C 1% |
Conditions | Yield |
---|---|
Stage #1: carbon monoxide; Cyclohexyl iodide With diethoxymethylane; [CuCl(IPrMe)]; lithium methanolate In tetrahydrofuran at 60℃; under 2280.15 Torr; for 16h; Sealed tube; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran; diethyl ether at 20℃; for 2h; | 89% |
With 2,2'-azobis(isobutyronitrile); triphenylgermane; sodium cyanoborohydride In tetrahydrofuran; benzene at 105℃; under 72400.7 Torr; | 62% |
With tetrabutylammonium borohydride In acetonitrile at 25℃; under 760.051 Torr; for 3h; UV-irradiation; | 36% |
With tetrabutylammonium tricarbonylnitrosyl ferrate; sodium trimethoxyborohydride In tetrahydrofuran at 50℃; under 3040 Torr; Product distribution; |
Conditions | Yield |
---|---|
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; 1-(diacetoxyiodo)-4-methylbenzene In chloroform at 20℃; for 24h; | 100% |
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; copper(I) bromide dimethylsulfide complex In chlorobenzene at 80℃; for 8h; | 99% |
With sodium hydrogencarbonate; sodium bromide In dichloromethane at 20℃; Electrochemical reaction; | 99% |
Conditions | Yield |
---|---|
With peracetic acid; C24H29INO5 In acetic acid at 30℃; for 24h; | 100% |
With 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In water; acetonitrile at 20℃; | 96% |
With sodium bromate; 4 In water at 60℃; for 15h; | 95% |
Conditions | Yield |
---|---|
With trimethylsilyl bromide; 4 A molecular sieve; tetrabutylammomium bromide; cobalt(II) bromide In dichloromethane at 22 - 28℃; for 16h; Product distribution; other alcohols; var. time and reaction conditions; | 100% |
With trimethylsilyl bromide; 4 A molecular sieve; tetrabutylammomium bromide; cobalt(II) bromide In dichloromethane at 22 - 28℃; for 16h; | 100% |
Conditions | Yield |
---|---|
With oxygen at 60℃; under 760.051 Torr; for 24h; Irradiation; | 100% |
With iodine; potassium carbonate In tert-butyl alcohol at 20℃; for 27h; | 93% |
With pyridinium hydrobromide perbromide In water at 20℃; for 14h; | 92% |
N-t-butoxycarbonyl-N-methyl-β-alanine
cyclohexylmethyl alcohol
benzyl alcohol
Boc-MeβAla-OCH2cHex
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; | 100% |
di(succinimido) carbonate
cyclohexylmethyl alcohol
N-succinimidyl carbonic acid cyclohexylmethyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 100% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N,N-dimethyl-formamide at 20 - 50℃; Inert atmosphere; | 100% |
(S)-4-(3-(tert-butyldimethylsilyloxy)phenyl)-6-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidin-5-carboxylic acid
cyclohexylmethyl alcohol
C26H40N2O4Si
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 50℃; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 50℃; Inert atmosphere; | 100% |
2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl chloride
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
Stage #1: cyclohexylmethyl alcohol With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.5h; Inert atmosphere; Stage #2: 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl chloride In tetrahydrofuran; mineral oil at 20℃; for 12h; Inert atmosphere; | 100% |
3-bromo-4-fluoropyridine
cyclohexylmethyl alcohol
Conditions | Yield |
---|---|
Stage #1: cyclohexylmethyl alcohol With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 0.75h; Stage #2: 3-bromo-4-fluoropyridine In dimethyl sulfoxide for 3h; | 100% |
methanesulfonyl chloride
cyclohexylmethyl alcohol
cyclohexylmethyl methanesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 6h; Inert atmosphere; | 99% |
With triethylamine In dichloromethane at 0℃; for 16h; | 96% |
With triethylamine In dichloromethane at 0℃; for 0.5h; Inert atmosphere; | 96% |
(1S,3S,4S,7R,8R)-7,8-Bis-benzyloxy-3-phenylsulfanyl-2-oxa-5-thia-bicyclo[2.2.2]octane
cyclohexylmethyl alcohol
(1S,3S,4S,7R,8R)-7,8-Bis-benzyloxy-3-cyclohexylmethoxy-2-oxa-5-thia-bicyclo[2.2.2]octane
Conditions | Yield |
---|---|
With N-Bromosuccinimide In dichloromethane at -40℃; for 0.166667h; MS 4A; | 99% |
Phenyl 2-deoxy-3,4-O-isopropylidene-1-thio-D-fucopyranoside
cyclohexylmethyl alcohol
(3aS,4R,6S,7aR)-6-Cyclohexylmethoxy-2,2,4-trimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran
Conditions | Yield |
---|---|
With N-Bromosuccinimide In dichloromethane a.) 0 deg C, 1 h, b.) 25 deg C, 16 h; | 99% |
With N-Bromosuccinimide In dichloromethane a.) 0 deg C, 1 h, b.) 25 deg C, 16 h; effect of conformational assistance of the glycosyl donor on stereoselective glycosylation, other glycosyl donors, other alcohols, other solvents; | 99% |
Conditions | Yield |
---|---|
With Cp*2Sm(THF)2 In toluene for 0.000833333h; Ambient temperature; | 99% |
cyclohexylmethyl alcohol
1-deoxy-2,3,4.6-tetrakis-O-phenylmethyl-1-phenylsulfinyl-mannopyranose
Conditions | Yield |
---|---|
With 5 Angstroem MS; Sulfate; zirconium(IV) oxide In diethyl ether at 25℃; for 3h; | 99% |
Conditions | Yield |
---|---|
In toluene for 3h; Heating; | 99% |
1,3,5-trichloro-2,4,6-triazine
cyclohexylmethyl alcohol
2,4-dichloro-6-cyclohexylmethoxy-[1,3,5]triazine
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In toluene | 99% |
With potassium hydrogencarbonate; 18-crown-6 ether In toluene | 99% |
With potassium carbonate; 18-crown-6 ether In toluene for 18h; Heating / reflux; | 99% |
With potassium hydrogencarbonate; 18-crown-6 ether In toluene for 18h; Heating / reflux; | |
With potassium hydrogencarbonate; 18-crown-6 ether In toluene for 18h; Heating / reflux; |
toluene-4-sulfonamide
cyclohexylmethyl alcohol
N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
Conditions | Yield |
---|---|
With potassium hydroxide In toluene at 130℃; for 96h; Inert atmosphere; | 99% |
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium tert-butylate In toluene for 17h; Inert atmosphere; Reflux; | 97% |
With [(η5-C5Me5)Ir(6,6'-dihydroxy-2,2'-bipyridine)(H2O)]OTf2; caesium carbonate In water at 120℃; for 15h; Inert atmosphere; Schlenk technique; | 85% |
Conditions | Yield |
---|---|
titanium (IV) oxide bis(2,4-pentanedionate) In xylene Reflux; | 99% |
Conditions | Yield |
---|---|
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; | 99% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene for 24h; Reflux; | 99% |
Reported in EPA TSCA Inventory.
The Hexahydrobenzyl alcohol is an organic compound with the formula C7H14O. The IUPAC name of this chemical is cyclohexylmethanol. With the CAS registry number 100-49-2, it is also named as 1,2,3, 6-Tetrahydrobenzaldehyde. The product's category is Alcohol Aldehyde & Acid Series. Besides, it is a colorless liquid, which should be stored in a cool and ventilated place. It is an organic synthesis intermediate.
Physical properties about Hexahydrobenzyl alcohol are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 1.87; (3)ACD/LogD (pH 7.4): 1.87; (4)ACD/BCF (pH 5.5): 15.59; (5)ACD/BCF (pH 7.4): 15.59; (6)ACD/KOC (pH 5.5): 248.55; (7)ACD/KOC (pH 7.4): 248.55; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.454; (13)Molar Refractivity: 33.89 cm3; (14)Molar Volume: 125 cm3; (15)Polarizability: 13.43×10-24cm3; (16)Surface Tension: 33.7 dyne/cm; (17)Density: 0.913 g/cm3; (18)Flash Point: 71.1 °C; (19)Enthalpy of Vaporization: 48.58 kJ/mol; (20)Boiling Point: 181.1 °C at 760 mmHg; (21)Vapour Pressure: 0.254 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclohexanecarbonyl chloride. This reaction is a kind of Reduction. It will need reagent Bu3SnH, Ph3P, catalyst InCl3 and solvent tetrahydrofuran. The reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 62%.
Uses of Hexahydrobenzyl alcohol: it can be used to produce acetic acid cyclohexylmethyl ester at temperature of 25 - 30 °C. It will need reagent Woelm-200-N alumina with reaction time of 1 hour. The yield is about 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1CCCCC1
(2)InChI: InChI=1/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
(3)InChIKey: VSSAZBXXNIABDN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
(5)Std. InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | National Technical Information Service. Vol. AD277-689, |
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