Conditions | Yield |
---|---|
With air; poly-alkylated (nitrosyl)Ru(salen) In benzene-d6 at 20℃; for 12h; Irradiation; | 100% |
With air; 1-Phenylethanol; (nitrosyl)Ru(salen) In benzene-d6 at 20℃; for 24h; Product distribution; Further Variations:; Catalysts; Temperatures; Irradiation; | 100% |
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; copper(I) bromide dimethylsulfide complex In chlorobenzene at 90℃; for 7h; | 100% |
2-nonyl-1,3-dithiane
caprinaldehyde
Conditions | Yield |
---|---|
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran Ambient temperature; | 100% |
With K-10 clay supported iron(III) nitrate nonahydrate In dichloromethane for 4h; Ambient temperature; with K-10 clay-supported copper(II) nitrate trihydrate; | 99.1% |
With nitric acid; arsenic(III) trioxide In dichloromethane at 0 - 5℃; | 96% |
With iodine; silver nitrate In tetrahydrofuran for 6h; Ambient temperature; | 88% |
Conditions | Yield |
---|---|
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave; | 100% |
With C11H10N2O2Pd(1+)*ClO4(1-); water In acetonitrile at 50℃; Reagent/catalyst; Temperature; | 96% |
With polymer-supported dicyanoketene acetal; water In acetonitrile at 20℃; for 0.5h; Hydrolysis; | 17% |
Multi-step reaction with 2 steps 1: 92 percent / CH2Cl2 / 0.5 h / 0 °C 2: 100 percent / PPTS; water / acetone / 2 h View Scheme |
decanal diethyl acetal
caprinaldehyde
Conditions | Yield |
---|---|
With water In tetrahydrofuran; diethyl ether at 80℃; under 6000.6 Torr; Inert atmosphere; Autoclave; | 100% |
indium(III) chloride In methanol; water for 1.41667h; Heating; | 96% |
Stage #1: decanal diethyl acetal With 2,4,6-trimethyl-pyridine; triethylsilyl trifluoromethyl sulfonate In dichloromethane at 0℃; for 2h; Stage #2: With water In dichloromethane for 0.1h; | 85% |
caprinaldehyde
Conditions | Yield |
---|---|
With water; pyridinium p-toluenesulfonate In acetone for 2h; | 100% |
Conditions | Yield |
---|---|
With C71H80N3P2Ru*F6P(1-); water In acetone at 60℃; for 18h; Inert atmosphere; | 99% |
With benzo[1,3,2]dioxaborole In tetrahydrofuran for 12h; Heating; hydroboration of alkenes and alkynes; var. reaction partners; | 90% |
With cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; 5,5′-bis(trifluoromethyl)-2,2′-bipyridine In 1-methyl-pyrrolidin-2-one; water at 25℃; for 24h; Inert atmosphere; Autoclave; | 90% |
Conditions | Yield |
---|---|
With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate In dichloromethane | A 99% B n/a |
With oxygen at 60℃; under 760.051 Torr; for 24h; Irradiation; | A 6% B 47% |
With 4-(benzyloxycarbonyl)-2,2,6,6-tetramethylpiperidine-1-oxyl; sodium hydrogencarbonate; pyridinium hydrobromide perbromide In dichloromethane; water at 0 - 4℃; | |
With 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; iodine; sodium hydrogencarbonate In dichloromethane; water at 20 - 22℃; for 3h; | A 22 %Chromat. B 16 %Chromat. |
In hexane at 180℃; for 5h; | A 7 %Chromat. B 12 %Chromat. |
caprinaldehyde
Conditions | Yield |
---|---|
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Ambient temperature; | 97% |
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h; | 94% |
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature; | 92% |
Conditions | Yield |
---|---|
With tetra-N-butylammonium tribromide In methanol at 20℃; for 0.25h; | 97% |
With sodium hydrogen sulfate; PEG-2000 at 70℃; for 0.583333h; | 88% |
With iron(II) sulfate In toluene for 10h; Heating; Yield given; |
Conditions | Yield |
---|---|
With trimethylamine-N-oxide In dimethyl sulfoxide for 24h; Ambient temperature; | 95% |
A
caprinaldehyde
Conditions | Yield |
---|---|
With titanium tetrachloride In dichloromethane at -78℃; Yields of byproduct given; | A n/a B 95% |
Conditions | Yield |
---|---|
With iron(III) chloride In dichloromethane for 1h; Product distribution; Ambient temperature; other solvent, temperature; | 95% |
indium(III) chloride In methanol; water for 1.41667h; Heating; | 86% |
With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 0.5h; | 79% |
n-decanal oxime
caprinaldehyde
Conditions | Yield |
---|---|
With γ-picolinium chlorochromate In dichloromethane at 20℃; for 4h; | 95% |
With potassium permanganate; montmorillonite K-10 for 0.833333h; | 93% |
With γ-picolinium chlorochromate; silica gel In dichloromethane at 20℃; for 8h; | 91% |
4-(4-Methoxy-phenyl)-2-nonyl-[1,3]dioxolane
caprinaldehyde
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water Ambient temperature; | 94% |
2-Nonyl-benzo[1,3]oxathiole
caprinaldehyde
Conditions | Yield |
---|---|
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran Ambient temperature; | 92% |
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran Product distribution; Ambient temperature; various 1,3-benzoxathioles; | 92% |
2-nonyl-1,3-oxathiolane
caprinaldehyde
Conditions | Yield |
---|---|
With perchloric acid; dihydrogen peroxide; ammonium bromide; molybdic acid In dichloromethane at 0 - 5℃; for 1.5h; | 90% |
With Glyoxilic acid; Amberlyst 15 at 80℃; for 3h; | 80% |
Conditions | Yield |
---|---|
With potassium carbonate | 90% |
Conditions | Yield |
---|---|
With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate In benzene at 80℃; for 10h; | 89% |
methanol
1-decenyl dimethyl phosphate
A
trimethyl phosphite
B
caprinaldehyde
Conditions | Yield |
---|---|
With cesium fluoride at 65℃; for 22h; | A 67% B 88% |
1-decenyl dimethyl phosphate
A
trimethyl phosphite
B
caprinaldehyde
Conditions | Yield |
---|---|
With methanol; cesium fluoride at 65℃; for 22h; | A 67% B 88% |
Conditions | Yield |
---|---|
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 88% |
1,1-Bis-ethylsulfanyl-decane
caprinaldehyde
Conditions | Yield |
---|---|
With K-10 clay supported copper(II) nitrate trihydrate In dichloromethane for 3h; Ambient temperature; with K-10 clay-supported iron(III) nitrate nonahydrate; | 87.5% |
With K-10 clay supported copper(II) nitrate trihydrate In dichloromethane for 3h; Ambient temperature; K-10 clay supported iron(III) nitrate nonahydrate; | 87.5% |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); α,α,α-trifluorotoluene; tri-n-butyl-tin hydride at 80℃; under 60800 Torr; for 2h; | A 87% B 8% |
Conditions | Yield |
---|---|
With zirconocene dichloride; lithium tri-t-butoxyaluminum hydride In tetrahydrofuran at 20℃; for 0.0333333h; Inert atmosphere; | 87% |
Multi-step reaction with 2 steps 1: Ti(O-i-Pr)4, Ph2SiH2 / 20 °C 2: 1 M aq. HCl / tetrahydrofuran / 20 °C View Scheme |
Conditions | Yield |
---|---|
With dimethyl sulfoxide for 0.0666667h; Kornblum oxidation; Microwave irradiation; | 85% |
With trimethylamine-N-oxide In dimethyl sulfoxide for 5h; Ambient temperature; | 81% |
With 4-methylmorpholine N-oxide; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride; potassium iodide at 100℃; for 0.0833333h; Microwave irradiation; Ionic liquid; | 80% |
A
caprinaldehyde
Conditions | Yield |
---|---|
With diisobutylaluminium hydride In tetrahydrofuran at -10 - 20℃; for 0.5h; | A 83% B n/a |
caprinaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran; water at 30℃; for 4h; | 83% |
3,4,4-Trimethyl-2-nonyl-oxazolidine
caprinaldehyde
Conditions | Yield |
---|---|
With oxonium | 82% |
1-(dimethylphenylsilyl)decan-1-ol
caprinaldehyde
Conditions | Yield |
---|---|
With chromium(VI) oxide In dimethyl sulfoxide at 25℃; | 82% |
Conditions | Yield |
---|---|
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 4h; Heating; | 100% |
With palladium 10% on activated carbon; water; sodium hydroxide at 80℃; under 600.06 Torr; for 6h; | 99% |
With dihydrogen peroxide In acetic acid at 90℃; for 7h; | 97% |
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate; magnesium sulfate In dichloromethane for 2h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; Bu3SnCl-BF3; tert.-butyl lithium In tetrahydrofuran -78 deg C to r.t.; | 100% |
caprinaldehyde
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 5h; Addition; | 100% |
caprinaldehyde
decanoyl azide
Conditions | Yield |
---|---|
With sodium azide; Iodine monochloride In acetonitrile at 25℃; for 2.5h; | 100% |
caprinaldehyde
n-decanal hydrazone
Conditions | Yield |
---|---|
With hydrazine hydrate at 100℃; | 100% |
caprinaldehyde
(S)-2-amino-3-phenylpropionamide hydrochloride
(5S)-5-benzyl-2-nonylimidazolidin-4-one
Conditions | Yield |
---|---|
With potassium carbonate; triethylamine In ethanol at 60℃; for 24h; | 100% |
caprinaldehyde
tert-butyl 1-(2-methylallyl)hydrazinecarboxylate
tert-butyl 2-decylidene-1-(2-methylallyl)hydrazinecarboxylate
Conditions | Yield |
---|---|
In ethanol at 20℃; for 24h; Inert atmosphere; | 100% |
caprinaldehyde
ethyl 2-cyanoacetate
ethyl 2-amino-5-octylthiophene-3-carboxylate
Conditions | Yield |
---|---|
With sulfur; triethylamine In ethanol at 60℃; Inert atmosphere; | 100% |
With sulfur; triethylamine In ethanol Inert atmosphere; |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 120℃; for 15h; Inert atmosphere; Schlenk technique; | 100% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 120℃; for 15h; Inert atmosphere; Schlenk technique; | 100% |
Conditions | Yield |
---|---|
With sodium butanolate In butan-1-ol Reflux; | 100% |
Conditions | Yield |
---|---|
With C43H42N2O4P2Ru; hydrogen In isopropyl alcohol at 100℃; under 22801.5 Torr; for 24h; Pressure; Glovebox; Autoclave; | 99% |
antimony(III) chloride; aluminium In water; N,N-dimethyl-formamide for 3h; Ambient temperature; | 98% |
With water; antimony(III) chloride; aluminium In N,N-dimethyl-formamide for 3h; Ambient temperature; | 98% |
caprinaldehyde
1,4-dibromo-2-(bromomethyl)but-2-ene
Conditions | Yield |
---|---|
With zinc In N,N-dimethyl-formamide at 0℃; for 2h; | 99% |
With zinc In tetrahydrofuran 1.) reflux, 2 h; 2.) room. temp., 2 h; | 87% |
Conditions | Yield |
---|---|
In diethyl ether at -42 - 20℃; for 2h; | 99% |
In tetrahydrofuran for 4h; | 33% |
With water 1) Et2O, 0 deg C to r.t., 2 h; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In acetic acid for 1h; Ambient temperature; | 99% |
With PPA; silica gel In 1,2-dichloro-ethane at 20℃; for 0.5h; | 95% |
With tetrabutylammomium bromide at 90 - 100℃; for 3.7h; | 91% |
caprinaldehyde
Methyl diethylphosphonoacetate
methyl (E)-dodec-2-enolate
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran at -78 - 25℃; Condensation; Wadsworth-Emmons reaction; | 99% |
caprinaldehyde
Ethyl bromodifluoroacetate
2,2-difluoro-3-hydroxydodecanoic acid ethyl ester
Conditions | Yield |
---|---|
With zinc In tetrahydrofuran at 20℃; for 3h; | 99% |
With zinc In tetrahydrofuran Condensation; Heating; | 56% |
With chloro-trimethyl-silane; ethylene dibromide; zinc In tetrahydrofuran | 53% |
With zinc In tetrahydrofuran Condensation; Reformatsky reaction; | 46% |
Conditions | Yield |
---|---|
With PPA; silica gel In 1,2-dichloro-ethane at 20℃; for 0.5h; | 99% |
polyaniline sulphate salt In dichloromethane at 20℃; for 6h; | 65% |
With perchloric acid In dichloromethane at 0 - 5℃; for 2h; | 57% |
Conditions | Yield |
---|---|
Stage #1: n-butyl magnesium bromide With zirconocene dichloride In tetrahydrofuran; toluene at 0℃; for 0.5h; Stage #2: With 2,4-dimethylpentan-3-one In tetrahydrofuran; toluene at 0℃; for 3h; Stage #3: caprinaldehyde In tetrahydrofuran; toluene at 25℃; for 5h; | 99% |
caprinaldehyde
3-trimethylsilyl-2-diethylphosphonopropionic acid ethyl ester
(E)-2-Trimethylsilanylmethyl-dodec-2-enoic acid ethyl ester
Conditions | Yield |
---|---|
With sodium hydride In 1,2-dimethoxyethane at 0℃; Wittig-Horner reaction; | 99% |
Conditions | Yield |
---|---|
With hydroquinone; p-benzoquinone In water at 20℃; for 3h; Reagent/catalyst; Solvent; Knoevenagel Condensation; Inert atmosphere; Sealed tube; | 99% |
With Na8H[PW9O34]*7H2O In methanol at 25℃; for 6h; Knoevenagel Condensation; | 82% |
With morpholine In ethanol at 20℃; for 0.0833333h; Knoevenagel condensation; | |
With 0.04O40PW12(3-)*0.73Mg(2+)*0.22Al(3+)*2HO(1-)*0.98H2O In water; isopropyl alcohol at 60℃; for 6h; Knoevenagel Condensation; chemoselective reaction; | 88 %Chromat. |
With 1-dodecyl-3-(3-triethoxysilylpropyl)-4,5-dihydroimidazolium bromide grafted onto layered double hydroxide In water at 20℃; for 5h; Knoevenagel Condensation; | 87 %Chromat. |
Conditions | Yield |
---|---|
With 4-methyl-N-[(1R)-2-{[(1S,2S)-2-{[(2R)-2-(4-methylbenzenesulfonamido)-2-phenylethyl]amino}-1,2-diphenylethy]amino}-1-phenylethyl]benzene-1-sulfonamido; copper(II) acetate monohydrate In ethanol at 20℃; for 48h; Henry reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 99% |
This chemical has the systematic name Decanal. With the CAS registry number 112-31-2, its classification codes are Mutation data; Natural Product; Skin / Eye Irritant. It's an organic compound with the chemical formula C9H19CHO. It belongs to the product category Pharmaceutical Intermediates. However, it should be sealed in the cool and dry place, away from the oxides.
Other characteristics of the Decanal can be summarised as followings: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 761.52; (6)ACD/BCF (pH 7.4): 761.52; (7)ACD/KOC (pH 5.5): 4020.77; (8)ACD/KOC (pH 7.4): 4020.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 48.56 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 19.25×10-24cm3; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.818 g/cm3; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 44.53 kJ/mol; (21)Boiling Point: 209 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C.
Production method of the Decanal: It could be prepared by oxidation of the related alcohol decanol.
Uses of the Decanal: It is used in fragrances and flavoring and it is an important component in citrus along with octanal, citral, and sinensal. Decanal is also an important component of buckwheat odour.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=CCCCCCCCCC
2.InChI: InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
3.InChIKey: KSMVZQYAVGTKIV-UHFFFAOYAQ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 41750mg/kg (41750mg/kg) | BEHAVIORAL: EXCITEMENT GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
rabbit | LD50 | skin | 5040uL/kg (5.04mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 3730uL/kg (3.73mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |
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