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 |
---|---|
With dihydrogen peroxide; 6-molybdo-6-tungstophosphoric acid/Al/C In tert-butyl alcohol at 60℃; for 4h; | 100% |
With [Me(n-Oct)3N]3{PO4[WO(O2)2]4}; dihydrogen peroxide In water; 1,2-dichloro-ethane at 95℃; for 5h; Catalytic behavior; Reagent/catalyst; Temperature; Concentration; Reflux; Green chemistry; | 97% |
With jones reagent; osmium(VIII) oxide In water; acetone for 20h; Ambient temperature; | 85% |
Conditions | Yield |
---|---|
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry; | 99% |
With water; oxygen at 100℃; for 24h; | 98% |
With periodic acid; pyridinium chlorochromate In acetonitrile for 1.5h; | 97% |
non-2-yne
oenanthic acid
Conditions | Yield |
---|---|
With ruthenium(IV) oxide; Oxone; sodium hydrogencarbonate In water; ethyl acetate; acetonitrile at 20℃; for 1h; | 99% |
7-tetradecyne
oenanthic acid
Conditions | Yield |
---|---|
With ruthenium(IV) oxide; Oxone; sodium hydrogencarbonate In water; ethyl acetate; acetonitrile at 20℃; for 1h; | 99% |
Conditions | Yield |
---|---|
enzyme from Synechocystis sp. PCC 6803 In phosphate buffer at 30℃; for 12h; pH=7.2; | 99% |
Conditions | Yield |
---|---|
With ruthenium(IV) oxide; Oxone; sodium hydrogencarbonate In water; ethyl acetate; acetonitrile at 20℃; for 1h; | 98% |
With iodosylbenzene; tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane for 0.0833333h; Ambient temperature; | 81% |
ruthenium(IV) oxide In tetrachloromethane at 15 - 20℃; electrolyse: aq. buffered NaCl (pH 4), platinum electrodes, 20 mA/cm2, electricity: 11.3 F/mol; | 76% |
Se-methyl heptaneselenoate
oenanthic acid
Conditions | Yield |
---|---|
With water; calcium carbonate; mercury dichloride In acetonitrile for 1h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With copper(l) chloride In tetrahydrofuran at -10℃; | 95% |
With copper(I) bromide at -5℃; for 1h; Mechanism; Product distribution; other solvents, Grignard reagents, catalyst and temperature; |
hept-6-ynoic acid
oenanthic acid
Conditions | Yield |
---|---|
With ethanol; lithium; nickel dichloride; 4,4'-di-tert-butylbiphenyl In tetrahydrofuran at 20℃; for 12h; | 95% |
Conditions | Yield |
---|---|
With aluminium trichloride; silver bromate In acetonitrile for 1h; Heating; | 94% |
benzyl hept-6-ynoate
oenanthic acid
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 2h; | 94% |
Conditions | Yield |
---|---|
With Oxone; osmium(VIII) oxide In N,N-dimethyl-formamide; tert-butyl alcohol at 20℃; for 3h; | 93% |
With acetic acid | |
With tetrafluoroboric acid; iodomesitylene; 3-chloro-benzenecarboperoxoic acid In dichloromethane; water; acetonitrile at 50℃; for 10h; Inert atmosphere; | 75 %Spectr. |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium sulfate; OsO4 In ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol | 93% |
Conditions | Yield |
---|---|
With copper(l) iodide In tetrahydrofuran at -30 - 0℃; for 0.0333333h; Product distribution; Mechanism; further reagents, solvents, temperatures, times, further β-propiolactones and Grignard reagents; | 92% |
copper(l) chloride In tetrahydrofuran Product distribution; other solvents, catalysts; | 90% |
copper(l) chloride at 0℃; for 0.25h; | 90% |
With copper(l) iodide; dimethylsulfide 1) THF, -30 deg C, 30 min; 2) -30 deg C, 1 h, 0 deg C, 1 h; Yield given. Multistep reaction; |
oenanthic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water; acetonitrile at 55 - 65℃; for 6h; | 92% |
Conditions | Yield |
---|---|
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h; | 92% |
oenanthic acid
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane for 18h; Ambient temperature; | 90% |
(E)-1-(Diethoxyphosphoryl)-N,N-dimethyl-1-hepten-1-amin
oenanthic acid
Conditions | Yield |
---|---|
With hydrogen bromide at 100℃; for 0.166667h; | 90% |
With water; hydrogen bromide at 100℃; for 0.166667h; Inert atmosphere; | 90% |
Conditions | Yield |
---|---|
With palladium on activated carbon; W(OTf)6; hydrogen In neat (no solvent) at 135℃; under 760.051 Torr; for 12h; | 90% |
Conditions | Yield |
---|---|
With potassium tert-butylate; oxygen; 18-crown-6 ether In tetrahydrofuran at 25℃; for 48h; | 89% |
With potassium tert-butylate; oxygen; 18-crown-6 ether In tetrahydrofuran at 25℃; for 48h; | 89% |
tetradec-7-ene
oenanthic acid
Conditions | Yield |
---|---|
With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃; | 89% |
With tetrafluoroboric acid; iodomesitylene; 3-chloro-benzenecarboperoxoic acid In dichloromethane; water; acetonitrile at 50℃; for 13h; Inert atmosphere; | 82 %Spectr. |
Conditions | Yield |
---|---|
With dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate In tert-butyl alcohol at 90℃; | A 11% B 89% |
With 1-methyl-3-(2-oxo-2-(2,2,6,6-tetramethyl-1-ylooxy-4-piperidoxyl)ethyl)imidazolium chloride; 1-(carboxymethyl)-3-methylimidazolium chloride; oxygen; sodium nitrite In water at 59.84℃; under 7500.75 Torr; for 12h; Inert atmosphere; | A 76% B 12% |
With C30H24N2O7W; dihydrogen peroxide In water; acetonitrile for 17h; Reflux; | A 72% B 17% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 25℃; for 1.25h; Grignard Reaction; Inert atmosphere; Schlenk technique; | 89% |
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; |
dimethyl 2-furfurylidenemalonate
oenanthic acid
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave; | 85% |
With palladium on activated charcoal; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave; | 85% |
Conditions | Yield |
---|---|
With palladium on activated charcoal; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave; | 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 ozone In water; acetonitrile at 0℃; | A 84% B 83% |
Conditions | Yield |
---|---|
With niobium(V) oxide; water In neat (no solvent) for 20h; Reflux; Inert atmosphere; | 84% |
oenanthic acid
2-butyl-1-(p-toluenesulfonyl)pyrrole
1-[5-butyl-1-(p-toluenesulfonyl)pyrrol-2-yl]heptan-1-one
Conditions | Yield |
---|---|
In dichloromethane; trifluoroacetic anhydride at 20℃; | 100% |
furan
oenanthic acid
dichloroacetic anhydride
1-furan-2-yl-heptan-1-one
Conditions | Yield |
---|---|
In toluene | 99.3% |
Conditions | Yield |
---|---|
With monoammonium 12-tungstophosphate for 12h; Heating; | 99% |
With hydrogenchloride at 85℃; for 2h; | 90% |
With hydrogenchloride |
Conditions | Yield |
---|---|
With manganese(II) acetate at 210℃; for 10h; | 99% |
With toluene-4-sulfonic acid; xylene | |
With sodium carbonate at 232℃; for 5h; Inert atmosphere; |
Conditions | Yield |
---|---|
With (2-bromophenyl)boronic acid In dichloromethane at 25℃; for 48h; Molecular sieve; | 99% |
With C36H24B4N2O3 In toluene at 20℃; for 8h; Reagent/catalyst; Molecular sieve; | 95% |
With (2-(thiophen-2-ylmethyl)phenyl)boronic acid In dichloromethane at 20℃; for 24h; Inert atmosphere; Molecular sieve; | 94% |
With indole-3-carboxaldehyde-polystyrene resin; sodium cyanoborohydride; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; trifluoroacetic acid; tetramethylammonium triacetoxyborohydride Yield given. Multistep reaction; | |
Stage #1: oenanthic acid With 4,6-dichloro-1,3,5-triazin-2-yl-NH-PEG-polystyrene Stage #2: benzylamine Further stages.; |
Conditions | Yield |
---|---|
With (2-(thiophen-2-ylmethyl)phenyl)boronic acid In dichloromethane at 20℃; for 24h; Inert atmosphere; Molecular sieve; | 99% |
With aluminum oxide In neat (no solvent) at 140℃; for 3h; Green chemistry; | 80% |
Conditions | Yield |
---|---|
With magnesium hydroxide; lithium hydroxide monohydrate; di-tert-butyl dicarbonate at 25℃; for 24h; Reagent/catalyst; | 99% |
Conditions | Yield |
---|---|
With monoammonium 12-tungstophosphate for 12h; Heating; | 98% |
With sulfuric acid at 0 - 20℃; Reflux; Inert atmosphere; Sealed tube; | 59% |
With hydrogenchloride | |
With sulfuric acid | |
With toluene-4-sulfonic acid at 78℃; for 6h; Yield given; |
Conditions | Yield |
---|---|
With hydrogen; silica gel; palladium at 330℃; Ni/Al2O3, 180 deg C; | 98% |
With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; diphenyldisulfane In 2,2,2-trifluoroethanol; ethyl acetate at 20℃; for 48h; Irradiation; | 40% |
With barytes | |
Multi-step reaction with 3 steps 1: borane-d3-tetrahydrofuran / tetrahydrofuran 2: pyridinium dichlorochromate / dichloromethane 3: aldehyde deformylating oxygenase / glycerol / 0.08 h / pH 7.5 View Scheme |
oenanthic acid
C25H33NO7
16-(4-methoxyphenyl)-3,10-dioxo-1-phenyl-2,11,15-trioxa-4-azahexadecan-13-yl heptanoate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; | 98% |
Conditions | Yield |
---|---|
With aluminum oxide In neat (no solvent) at 140℃; for 3h; Green chemistry; | 98% |
oenanthic acid
Conditions | Yield |
---|---|
Stage #1: oenanthic acid With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane at 0 - 20℃; for 1h; Stage #2: (2S)-2-amino-N-benzyloxy-3-(4-phenylphenyl)propanamide 2,2,2-trifluoroacetate With triethylamine In dichloromethane at 20℃; | 98% |
Conditions | Yield |
---|---|
With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 6h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With magnesium hydroxide; di-tert-butyl dicarbonate; sodium carbonate at 25℃; for 24h; Reagent/catalyst; | 98% |
Conditions | Yield |
---|---|
Stage #1: oenanthic acid; 17β-hydroxy-3-methoxyandrosta-3,5-diene With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 40℃; Inert atmosphere; Stage #2: With hydrogenchloride In water | 97.18% |
Conditions | Yield |
---|---|
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane at 20℃; for 0.5h; | 97% |
With magnesium basic carbonate; di-tert-butyl dicarbonate at 25℃; for 12h; Reagent/catalyst; | 94% |
With acetyl chloride |
Conditions | Yield |
---|---|
With pyridine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 6h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With SO42-/TiO2 at 20℃; for 0.133333h; Microwave irradiation; | 96.8% |
With sulfuric acid | 61% |
With sulfuric acid Heating; | |
With sulfuric acid at 80 - 90℃; for 7h; |
oenanthic acid
17β-hydroxy-3-ethoxyandrosta-3,5-diene
testosterone heptanoate
Conditions | Yield |
---|---|
Stage #1: oenanthic acid; 17β-hydroxy-3-ethoxyandrosta-3,5-diene With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In 1,2-dichloro-ethane at 20℃; Inert atmosphere; Stage #2: With sulfuric acid In water | 96.3% |
oenanthic acid
1-heptanol-1,1-d2
Conditions | Yield |
---|---|
With lithium aluminium deuteride In diethyl ether for 48h; Heating; | 96% |
With lithium aluminium deuteride In tetrahydrofuran for 2h; Heating; |
Conditions | Yield |
---|---|
With sulfuric acid; toluene-4-sulfonic acid at 135℃; for 0.183333h; Neat (no solvent); Microwave irradiation; | 96% |
oenanthic acid
2-bromo-6-(4-pyridin-2-yl-piperazin-1-yl)-indeno[2,1-c]quinolin-7-one oxime
2-bromo-6-(4-(pyridin-2-yl)piperazin-1-yl)-7H-indeno[2,1-c]quinolin-7-one O-heptanoyl oxime
Conditions | Yield |
---|---|
Stage #1: 2-bromo-6-(4-pyridin-2-yl-piperazin-1-yl)-indeno[2,1-c]quinolin-7-one oxime With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 0.333333h; Inert atmosphere; Stage #2: oenanthic acid In N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere; | 96% |
IUPAC Name: Heptanoic acid
Molecular Formula: C7H14O2
Molecular Weight: 130.18 g/mol
SMILES: C(CC(O)=O)CCCC
InChI: InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
EINECS: 203-838-7
Product Categories: Pharmaceutical Intermediates; Alkylcarboxylic Acids; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Aliphatics; Carboxylic Acids
Stability: Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
Water Solubility: 0.24 g/100 mL (15 °C)
Index of Refraction: 1.432
Molar Refractivity: 36.04 cm3
Molar Volume: 138.7 cm3
Polarizability: 14.28×10-24 cm3
Surface Tension: 32.9 dyne/cm
Density: 0.938 g/cm3
Flash Point: 99.2 °C
Enthalpy of Vaporization: 48.52 kJ/mol
Boiling Point: 222.6 °C at 760 mmHg
Melting Point: -10.5 °C
Vapour Pressure of Heptanoic acid (CAS NO.111-14-8): 0.0578 mmHg at 25 °C
Heptanoic acid (CAS NO.111-14-8) is used in the preparation of esters, such as ethyl heptanoate, which are used in fragrances and as artificial flavors.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 1200mg/kg (1200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
mouse | LD50 | oral | 6400mg/kg (6400mg/kg) | Biochemical Journal. Vol. 34, Pg. 1196, 1940. | |
rat | LD50 | oral | 7gm/kg (7000mg/kg) | Food & Drug Research Laboratories, Inc., Papers. Vol. 123, Pg. -, 1976. |
Reported in EPA TSCA Inventory.
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-28-36/37/39-45-28A
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 3
WGK Germany: 1
RTECS: MJ1575000
HazardClass: 8
PackingGroup of Heptanoic acid (CAS NO.111-14-8): III
Heptanoic acid (CAS NO.111-14-8), its Synonyms are 1-Hexanecarboxylic acid ; Enanthic acid ; Enanthylic acid ; Heptoic acid ; Heptylic acid ; Oenanthic acid ; Oenanthylic acid ; N-Heptanoic acid . It is colourless liquid with a pungent and rancid odour. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether.
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