Conditions | Yield |
---|---|
With limonene.; palladium on activated charcoal for 0.25h; Heating; | 100% |
With potassium bis(trimethylsilyl)amide In tetrahydrofuran at 0℃; for 6h; | 94.2% |
With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In hexane for 3h; Ambient temperature; pH=7.6; | 71% |
Conditions | Yield |
---|---|
With sodium dichromate; sulfuric acid; silica gel In dichloromethane at 20℃; for 0.5h; | 99% |
With dihydrogen peroxide In water at 89.84℃; for 5h; | 98% |
With pyridinium chlorochromate In chloroform at 16℃; for 168h; or 1-methyl imidazolium chlorochromate or imidazolium chlorochromate; | 97% |
Conditions | Yield |
---|---|
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; di(rhodium)tetracarbonyl dichloride In dichloromethane | 98% |
With [Ru(η3:η3-C10H16)Cl2(benzimidazole)] In glycerol at 75℃; for 8h; Sealed tube; Inert atmosphere; Green chemistry; | 95% |
With 2C25H28N2OP(1-)*2Cl(1-)*2Ru(2+) In tetrahydrofuran at 80℃; for 1h; Inert atmosphere; Schlenk technique; Sealed tube; | 88% |
Conditions | Yield |
---|---|
With disodium chloro[1,3-bis(2,6-diisopropyl-4-sodiumsulfonatophenyl)imidazol-2-ylidene]gold(I); water at 100℃; for 1.17h; | 97% |
With 1,3-bis{2,6-bis[bis(4-tert-butylphenyl)methyl]-4-methylphenyl}-1H-imidazol-2-ylidenegold(I) chloride; water; silver(I) triflimide In methanol at 80℃; for 0.25h; Temperature; | 88% |
With hexafluoroantimonic acid; AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); water at 120℃; for 24h; | 40% |
Pent-4-en-2-ol
2-Pentanone
Conditions | Yield |
---|---|
With Grotjahn’s catalyst In [(2)H6]acetone at 70℃; for 1h; Reagent/catalyst; Solvent; Inert atmosphere; Glovebox; | 97% |
With copper at 300℃; | |
{CpRu[P(i-Pr)2(1-Me-4-tBu-imidazol-2-yl)]MeCN}*PF6 In acetone at 70℃; for 1h; | 97 % Spectr. |
2-pentanol(d O-H)
2-Pentanone
Conditions | Yield |
---|---|
With pyridinium chlorochromate In chloroform at 16℃; for 2.8h; Rate constant; Product distribution; Mechanism; | 96.4% |
Conditions | Yield |
---|---|
With potassium tert-butylate; [RuCl2(η6-p-cymene){κ1-(P)-PPh2(OCH2CH2NMe2)}] In tetrahydrofuran at 75℃; for 0.0833333h; | A n/a B 95% |
2-methyl-2-propyl-1,3-dithiolane
2-Pentanone
Conditions | Yield |
---|---|
With selenium(IV) oxide In acetic acid for 1.16667h; Ambient temperature; | 94% |
2-Methyl-1-morpholino-1-pentene
2-Pentanone
Conditions | Yield |
---|---|
With potassium permanganate on Y-Zeolite In 1,2-dichloro-ethane for 6h; Ambient temperature; | 93% |
Conditions | Yield |
---|---|
With potassium carbonate; dimethyl sulfoxide at 70℃; for 9.25h; | 92.03% |
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature; | 91% |
furfural
A
2-methylfuran
B
(+/-)-2-pentanol
C
pentan-1-ol
D
2-Pentanone
Conditions | Yield |
---|---|
With Cu/SiO2; hydrogen at 220℃; under 760.051 Torr; for 0.5h; Catalytic behavior; Reagent/catalyst; Time; Temperature; Green chemistry; | A 89.5% B n/a C n/a D n/a |
furfural
A
2-methyltetrahydrofuran
B
2-methylfuran
C
(+/-)-2-pentanol
D
2-Pentanone
Conditions | Yield |
---|---|
With hydrogen; Cu-based catalyst at 212℃; Product distribution; Further Variations:; Temperatures; reaction in vapour phase, fixed bed reactor; | A 3.3% B 88.6% C 4.8% D 2.7% |
2-Pentanone
Conditions | Yield |
---|---|
With sulfuric acid In benzene for 4h; Heating; | 87% |
Conditions | Yield |
---|---|
With caro's acid; silica gel In acetonitrile at 20℃; for 0.416667h; | 86% |
With tellurium; sodium tetrahydroborate; water 1.) EtOH, 25 deg C, 30 min; Multistep reaction; |
2-methyl-2-n-propyl-1,3-oxathiolane
2-Pentanone
Conditions | Yield |
---|---|
With Montmorillonite K10 In benzene for 2.5h; Heating; | 86% |
Conditions | Yield |
---|---|
With potassium tert-butylate; [RuCl2(η6-p-cymene){κ1-(P)-PPh2(OCH2CH2NMe2)}] In tetrahydrofuran at 75℃; for 5.41667h; | A n/a B 85% |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; β‐cyclodextrin In water; acetone at 20℃; for 0.333333h; | 84% |
With sodium bromate; ion exchange resin at 25 - 30℃; for 0.25h; ultrasonic irradiation; | 97 % Chromat. |
Conditions | Yield |
---|---|
With oxygen; Cu-X zeolite In 1,2-dichloro-ethane; acetonitrile at 50℃; for 6h; Oxidation; Oxidative cleavage; | A 83% B 80% |
2-Pentanone
Conditions | Yield |
---|---|
With calcium hypochlorite; montmorillonite K-10 In chloroform at 20℃; for 2.75h; | 82% |
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid; zinc for 2h; Heating; | A 79% B 21% |
With hydrogenchloride; acetic acid; zinc for 2h; Product distribution; Mechanism; Heating; further co-reagents: LiCl, TFA; also amalgamated zinc; further β-dicarbonal substrates; | A 79% B 21% |
acetylacetone
A
(+/-)-2-pentanol
B
2-Pentanone
C
pentane-1,3-diol
Conditions | Yield |
---|---|
With samarium diiodide; water In tetrahydrofuran at 20℃; for 0.141667h; | A 78% B 6% C 6% |
Conditions | Yield |
---|---|
With hydrogen; In diethylene glycol dimethyl ether; water at 30℃; under 735.5 Torr; for 5h; | A 7.8% B 77.3% |
With nickel kieselguhr at 100℃; under 88260.9 Torr; Hydrogenation; | |
With nickel kieselguhr at 100 - 160℃; under 88260.9 Torr; Hydrogenation.Hydrieren des Reaktionsprodukts an Kupferchromit; (+-)-pentanol-(2); |
butanoic acid anhydride
A
Co(OCO-n-C3H7)
B
propene
C
methane
D
propane
E
2-Pentanone
Conditions | Yield |
---|---|
In tetrahydrofuran in THF at -40-20°C; | A n/a B 7% C 6% D 2% E 76% |
Conditions | Yield |
---|---|
With lead(IV) acetate; potassium bromide In benzene at 80℃; | A 75% B 3% |
Conditions | Yield |
---|---|
With palladium diacetate; Dess-Martin periodane In water; acetonitrile at 50℃; Wacker-Tsuji Olefin Oxidation; Inert atmosphere; | 72% |
With dihydrogen peroxide In water; acetonitrile at 55℃; for 12h; Wacker Oxidation; | 71% |
With oxygen; cetyltrimethylammonim bromide; copper dichloride; palladium dichloride In water; benzene at 80℃; under 2327.2 Torr; Product distribution; | 48% |
Conditions | Yield |
---|---|
With tetraethylammonium bromate In ethanol for 5h; Heating; | 72% |
With potassium carbonate In water at 9.9℃; Kinetics; Mechanism; Thermodynamic data; E(activ.), ΔG(excit.), ΔH(excit.), ΔS(excit.); other temperatures; |
2-methylpentan-1-ol
A
(+/-)-2-pentanol
B
2-Methylpentanoic acid
C
2-Pentanone
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioctylammonium tetrakis(oxodiperoxotungsto)phosphate at 90℃; for 6h; | A n/a B 70% C n/a |
2-methylvaleraldehyde
A
(+/-)-2-pentanol
B
2-Methylpentanoic acid
C
1-methylbutyl formate
D
2-Pentanone
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioctylammonium tetrakis(oxodiperoxotungsto)phosphate at 90℃; for 0.5h; | A n/a B 70% C 7% D n/a |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane In diethyl ether for 2h; -78 deg C; | 69% |
Conditions | Yield |
---|---|
With water; palladium dichloride at 25℃; under 1300 Torr; for 22h; in microemulsion system, closed reactor; | 66% |
Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran at 0℃; | 100% |
With tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 5℃; for 1h; Favorskii-Babayan Synthesis; | 90% |
With diethyl ether; potassium 2-methylbutan-2-olate |
Conditions | Yield |
---|---|
barium dihydroxide In ethanol for 1h; Heating; | 100% |
trimethylsilyl cyanide
2-Pentanone
2-methyl-2-(trimethylsiloxy)pentanenitrile
Conditions | Yield |
---|---|
With trans-{(iBu)2ATIGeiPr}2Pt(CN)2 In chloroform-d1 at 50℃; for 6h; Catalytic behavior; Schlenk technique; Glovebox; | 100% |
With C29H38AlN4O2(1+)*CF3O3S(1-) In neat (no solvent) at 20℃; for 0.0833333h; Catalytic behavior; Inert atmosphere; Schlenk technique; | 99% |
With gold(III) chloride In dichloromethane at 20℃; for 0.5h; | 92% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In diethyl ether for 3h; Heating; | 100% |
sulfur dioxide In benzene Heating; | 72% |
With toluene-4-sulfonic acid In benzene Heating; |
p-hydroxyphenethyl alcohol
2-Pentanone
2-(4-hydroxylphenyl)ethyl butyrate
Conditions | Yield |
---|---|
With Candida antarctica lipase B at 45℃; for 24h; Enzymatic reaction; | 100% |
3-phenoxy-2-propanone
2-Pentanone
A
(R)‐2‐aminopentane
B
R-(-)-1-phenoxy-2-propanamine
Conditions | Yield |
---|---|
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction; | A 99.2% B 99.8% |
4-fluorophenyl acetone
2-Pentanone
A
(R)‐2‐aminopentane
B
(R)-(-)-α-methyl-β-(4-fluorophenyl)ethylamine
Conditions | Yield |
---|---|
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction; | A 99.7% B 99.4% |
4-methoxybenzyl methyl ketone
2-Pentanone
A
(R)‐2‐aminopentane
B
(R)-(-)-p-methoxyamphetamine
Conditions | Yield |
---|---|
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction; | A 99.7% B 99.4% |
2-Pentanone
1-(4-chlorophenyl)propan-2-one
A
(R)‐2‐aminopentane
Conditions | Yield |
---|---|
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction; | A 99.3% B 99.1% |
4-Phenyl-2-butanone
2-Pentanone
A
(R)‐2‐aminopentane
B
(R)-1-methyl-3-phenylpropylamine
Conditions | Yield |
---|---|
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Reagent/catalyst; pH-value; Green chemistry; Enzymatic reaction; | A 99.1% B 96.4% |
Conditions | Yield |
---|---|
With sodium isopropylate; acetonitrile In isopropyl alcohol at 80℃; for 1h; Catalytic behavior; | 99% |
With formic acid; sodium formate; (η5-C4Ph4COHOC4Ph4-η5)(μ-H)(CO)4Ru2 In water at 100℃; for 3h; | 98% |
With C40H37ClN2PRuS(1+)*C24H20B(1-); isopropyl alcohol; potassium hydroxide at 82℃; for 2h; Catalytic behavior; | 97.7% |
Conditions | Yield |
---|---|
Stage #1: 2-Pentanone; benzylamine With formic acid; chlorido(8-quinolinolato-k2N,O)(η5-pentamethylcyclo-pentadienyl)rhodium(III) In ethyl acetate at 0 - 40℃; Inert atmosphere; Cooling with ice; Schlenk tube; Stage #2: With sodium hydrogencarbonate In water; ethyl acetate Product distribution / selectivity; | 99% |
With 5-ethyl-2-methylpyridine borane In methanol at 20℃; | 84% |
With 4 A molecular sieve; borane pyridine complex In methanol for 16h; | 80% |
With 2-picoline borane complex; acetic acid In methanol at 20℃; for 6h; | 79% |
2-Pentanone
Conditions | Yield |
---|---|
In water byproducts: water; addn. of 10% water to suspn. of Ni-complex in PrCOMe (dissoln.), refluxing for 10 min; evapn. (reduced pressure), recrystn. (Me2CO/Et2O); elem. anal.; | 99% |
Conditions | Yield |
---|---|
With titanium(IV) tetrabutoxide; triethylsilyl chloride In dichloromethane at 20℃; | A n/a B 99% |
C8H4BrClF3NO
2-Pentanone
8-bromo-6-chloro-2-propyl-4-(trifluoromethyl)quinoline
Conditions | Yield |
---|---|
With L-proline potassium salt In dimethyl sulfoxide at 20℃; for 0.416667h; Friedlaender Quinoline Synthesis; regioselective reaction; | 99% |
2-Pentanone
(3,4-dimethoxyphenyl)methanol
1-(3,4-dimethoxyphenyl)hexan-3-one
Conditions | Yield |
---|---|
With potassium phosphate; 5%-palladium/activated carbon In toluene at 100℃; for 24h; Reagent/catalyst; Temperature; Inert atmosphere; | 99% |
With potassium phosphate In toluene at 80℃; for 24h; Inert atmosphere; | 79% |
ketene t-butyldimethylsilyl methyl acetal
2-Pentanone
Conditions | Yield |
---|---|
Stage #1: 2-Pentanone With bis(trifluoromethanesulfonyl)amide In diethyl ether at -78 - 23℃; Mukaiyama Aldol Addition; Schlenk technique; Inert atmosphere; Stage #2: ketene t-butyldimethylsilyl methyl acetal In diethyl ether at -20℃; for 0.5h; Mukaiyama Aldol Addition; Schlenk technique; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With Nafion-H resin In 1,2-dimethoxyethane at 70℃; for 8h; | 98% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In ethanol at 20℃; for 1.66667h; | 98% |
2-allyl-2,3,3-tris-ethoxycarbonyl-hept-5-ynoic acid ethyl ester
2-Pentanone
1,3-dimethyl-3-propyl-3,4,4a,5-tetrahydro-8H-isochromene-6,6,7,7-tetracarboxylic acid tetraethyl ester
Conditions | Yield |
---|---|
With 3 A molecular sieve; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene; bis(1,5-cyclooctadiene)nickel (0) In toluene at 20℃; | 98% |
2-Pentanone
1-(2-amino-5-chloro-phenyl)-2,2,2-trifluoro-ethanone
6-chloro-2-propyl-4-(trifluoromethyl)quinoline
Conditions | Yield |
---|---|
With L-proline potassium salt In dimethyl sulfoxide at 20℃; for 0.583333h; Reagent/catalyst; Time; Temperature; Friedlaender Quinoline Synthesis; regioselective reaction; | 98% |
With L-proline In dimethyl sulfoxide at 50℃; for 48h; Friedlaender synthesis; regioselective reaction; | 93% |
2-Pentanone
Conditions | Yield |
---|---|
With L-proline In dimethyl sulfoxide at 20℃; for 24h; Mannich Aminomethylation; enantioselective reaction; | 97% |
2-Pentanone
(S)-2-pentanol
Conditions | Yield |
---|---|
With dried cells of Geotrichum candidum; NAD; isopropyl alcohol In various solvent(s) at 30℃; for 9h; pH=7.0; Enzymatic reaction; | 96% |
With glucose dehydrogenase; ketoreductase Kred-108; glucose; NADPH at 37℃; for 24h; pH=6.9; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; stereoselective reaction; | 92% |
Daucas carota root; extract of In water at 35 - 40℃; for 88h; pH=7.5; Conversion of starting material; Enzymatic reaction; Aqueous phosphate buffer; | 49% |
2-Pentanone
ethyl (triphenylphosphoranylidene)acetate
ethyl 3-methylhex-2-enoate
Conditions | Yield |
---|---|
In xylene at 50℃; under 6750540 Torr; for 30h; | 96% |
With benzoic acid |
Molecular structure of 2-Pentanone (CAS NO.107-87-9) is:
Product Name: 2-Pentanone
CAS Registry Number: 107-87-9
IUPAC Name: pentan-2-one
Molecular Weight: 86.1323 [g/mol]
Molecular Formula: C5H10O
XLogP3: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 203-528-1
Melting Point: -78 °C
Surface Tension: 22.6 dyne/cm
Density: 0.796 g/cm3
Flash Point: 7.2 °C
Enthalpy of Vaporization: 32.76 kJ/mol
Boiling Point: 102.7 °C at 760 mmHg
Vapour Pressure: 38.6 mmHg at 25°C
Refractive index: n20/D 1.39(lit.)
Storage temp.: Flammables area
Water Solubility: 43 g/L (20 °C)
Stability: Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents.
Product Categories: Organics;ketone;ketone Flavor
2-Pentanone (CAS NO.107-87-9) is used as a flavoring food additive in very small amounts.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LCLo | inhalation | 13000ppm/5H (13000ppm) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1036, 1991. | |
human | TCLo | inhalation | 1500ppm (1500ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: HEADACHE GASTROINTESTINAL: NAUSEA OR VOMITING | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 83, 1974. |
mammal (species unspecified) | LC50 | inhalation | 22gm/m3 (22000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
mammal (species unspecified) | LD50 | oral | 3700mg/kg (3700mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
mouse | LD50 | intraperitoneal | 1600mg/kg (1600mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4735, 1982. | |
mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4735, 1982. | |
rabbit | LD50 | skin | 6500mg/kg (6500mg/kg) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 83, 1974. | |
rat | LCLo | inhalation | 2000ppm/4H (2000ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | intraperitoneal | 800mg/kg (800mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4735, 1982. | |
rat | LD50 | oral | 1600mg/kg (1600mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New |
Hazard Codes: F,Xn
Risk Statements: 11-22-36/37/38
R11:Highly flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 9-16-29-33-37/39-26
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
S29:Do not empty into drains.
S33:Take precautionary measures against static discharges.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1249 3/PG 2
WGK Germany: 1
RTECS: SA7875000
HazardClass: 3
PackingGroup: II
2-Pentanone , its cas register number is 107-87-9. It also can be called Methyl propyl ketone ; Ethyl acetone ; Methyl n-propyl ketone ; Methyl propyl ketone ; Methyl-propyl-cetone ; Metylopropyloketon [Polish] ; Propyl methyl ketone .It is a clear colorless liquid with the odor of fingernail polish. It less dense than water and soluble in water.It is highly flammable and can soluble in water. It is incompatible with oxidizing agents, strong bases and reducing agents. Reacts violently with bromine trifluoride.
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