Conditions | Yield |
---|---|
With hydrogen In methanol at 20℃; for 4h; | 97.5% |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran at 20 - 30℃; under 4500.45 - 6000.6 Torr; | 90.3% |
bei der Reduktion an platinierten Platinkathoden.Electrolysis; | |
With selenium at 300℃; |
6-docosenoic acid
n-docosanoic acid
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol for 6h; | 86% |
Conditions | Yield |
---|---|
With ethanol; platinum Hydrogenation; |
Conditions | Yield |
---|---|
With hydrogen; nickel Hydrogenation; |
Conditions | Yield |
---|---|
With air at 95℃; |
5-oxo-docosanoic acid
n-docosanoic acid
Conditions | Yield |
---|---|
With methanol; sodium; hydrazine; diethylene glycol at 195℃; |
n-docosanoic acid
Conditions | Yield |
---|---|
With potassium hydroxide; hydrazine hydrate; diethylene glycol |
4-oxodocosanoic acid
n-docosanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; hydrazine hydrate; diethylene glycol at 220℃; |
Conditions | Yield |
---|---|
Hydrogenation; |
Conditions | Yield |
---|---|
With methanol; sodium Electrolysis.und Behandlung des Reaktionsprodukts mit methanol.Natronlauge; |
Conditions | Yield |
---|---|
With potassium hydroxide |
Conditions | Yield |
---|---|
With potassium hydroxide In methanol for 3h; Heating; | A 5 mg B 10 mg |
Conditions | Yield |
---|---|
With pH 1.2 In water at 37℃; Product distribution; var. pH and temperatures; |
A
n-docosanoic acid
Conditions | Yield |
---|---|
With potassium hydroxide In 1,4-dioxane; methanol at 70℃; for 3h; Yield given; |
n-docosanoic acid
Conditions | Yield |
---|---|
With water; zinc at 130℃; |
n-docosanoic acid
Conditions | Yield |
---|---|
With water; zinc at 130℃; |
n-docosanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; hydrazine hydrate; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol zuletzt bei 200grad nach teilweisem Abdestillieren des Loesungsmittels; |
n-docosanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; amalgamated zinc |
n-docosanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
Hydrogenation; |
n-docosanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; ethanol; zinc Verseifung etwa entstandenen Esters mit Kalilauge; |
n-docosanoic acid
Conditions | Yield |
---|---|
With oxygen at 150℃; | |
With Nitrogen dioxide at 120 - 130℃; |
docosanoic acid anhydride
n-docosanoic acid
Conditions | Yield |
---|---|
at 200 - 210℃; |
Conditions | Yield |
---|---|
at 210℃; |
Conditions | Yield |
---|---|
Hydrogenation; |
Conditions | Yield |
---|---|
Ce3+ exchanged Y-fanjasite at 150℃; for 48h; | 100% |
Conditions | Yield |
---|---|
at 250℃; for 15h; Inert atmosphere; | 99.6% |
With C28H60O3PS(1+)*CF3O3S(1-) at 80℃; for 6h; Sealed tube; |
Conditions | Yield |
---|---|
Stage #1: n-docosanoic acid With oxalyl dichloride In toluene for 2h; Inert atmosphere; Reflux; Stage #2: With ammonium hydroxide In water | 99% |
With ammonia; zircornium(IV) n-propoxide at 165℃; for 7h; Reagent/catalyst; | 98.7% |
With phosphorus pentachloride at 160℃; man versetzt nach Entfernung des POCl3 mit konz.Ammoniak; | |
Multi-step reaction with 2 steps 1: SOCl2 / Heating 2: ammonia gas / CHCl3 View Scheme | |
Multi-step reaction with 2 steps 1: oxalyl dichloride / dichloromethane / Inert atmosphere 2: ammonium hydroxide View Scheme |
Conditions | Yield |
---|---|
In ammonium hydroxide; ethanol hot (50°C) soln. docosanoic acid in EtOH was added slowly to hot soln. AgNO3 in aq. NH4OH at 50°C in the dark; ppt. was washed with water, extracted with EtOH and dried in vacuo for 12 h; | 99% |
In water dipping Langmuir-Blodgett film of behenic acid on CaF2 substrate into soln. of AgNO3, 15 min; washing with H2O, drying in air; |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 1h; | 99% |
n-docosanoic acid
n-docosanal
Conditions | Yield |
---|---|
With methylphenylsilane; 2,2-dimethylpropanoic anhydride; Tri(p-tolyl)phosphine; bis(dibenzylideneacetone)-palladium(0) In toluene at 60℃; for 20h; Schlenk technique; Inert atmosphere; | 98% |
Multi-step reaction with 2 steps 1: thionyl chloride / diethyl ether / 20 °C 2: bis(dibenzylideneacetone)-palladium(0); tris(2,4,6-trimethylphenyl)phosphine; triethylsilane / toluene / 1.5 h / 40 °C / Schlenk technique; Inert atmosphere View Scheme |
Conditions | Yield |
---|---|
With triphenylphosphine-sulfur trioxide adduct In neat (no solvent) at 110℃; for 2h; Green chemistry; | 97% |
at 250℃; for 15h; Inert atmosphere; | 92.8% |
Conditions | Yield |
---|---|
Stage #1: n-docosanoic acid With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 0.166667h; Stage #2: H2N-Arg(Pbf)-Gly-Asp(OtBu)-OtBu In dichloromethane at 0 - 20℃; for 96h; | 96% |
n-docosanoic acid
Conditions | Yield |
---|---|
Stage #1: n-docosanoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Stage #2: (2S)-2-amino-N-dodecyl-5-[(N-nitrocarbamimidoyl)amino]pentanamide hydrochloride With triethylamine In tetrahydrofuran at 20℃; | 96% |
Conditions | Yield |
---|---|
With triphenylphosphine-sulfur trioxide adduct In neat (no solvent) at 110℃; for 2h; Green chemistry; | 96% |
n-docosanoic acid
docosanoic acid anhydride
Conditions | Yield |
---|---|
With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In dichloromethane at 0 - 20℃; for 24h; | 95% |
With acetic anhydride | |
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 4h; Acylation; | |
Multi-step reaction with 2 steps 1: 51 percent / N-methylmorpholine / tetrahydrofuran / 1.) 0 to 5 deg C, 24 h 2.) r.t., 14 h 2: CHCl3 View Scheme |
1,3-dioxan-5-yl 4-methylbenzene-1-sulfonate
n-docosanoic acid
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; trifluoroacetic anhydride In tetrahydrofuran at 20℃; for 2h; acylolysis; | 95% |
Conditions | Yield |
---|---|
With choline chloride; zinc(II) chloride at 110℃; for 12h; | 95% |
n-docosanoic acid
methyl 2,3-di-O-benzyl-β-D-arabinofuranosyl-(1->2)-3-O-benzyl-α-D-arabinofuranoside
methyl 5-O-behenoyl-2,3-di-O-benzyl-β-D-arabinofuranosyl-(1->2)-5-O-behenoyl-3-O-benzyl-α-D-arabinofuranoside
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 4h; Inert atmosphere; | 95% |
Conditions | Yield |
---|---|
With triethylamine at 160℃; for 5h; Autoclave; Green chemistry; | 95% |
With diiron nonacarbonyl at 180℃; for 1h; Sealed tube; |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h; Esterification; | 94% |
n-docosanoic acid
decanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester
docosanoic acid 3-decanoyloxy-2-(toluene-4-sulfonyloxy)-propyl ester
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; Esterification; | 94% |
n-docosanoic acid
hexadecanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester
docosanoic acid 3-hexadecanoyloxy-2-(toluene-4-sulfonyloxy)-propyl ester
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; Esterification; | 94% |
n-docosanoic acid
docosanoyl azide
Conditions | Yield |
---|---|
With sodium azide; N-ethyl-N,N-diisopropylamine; (bis-(2-methoxyethyl)amino)sulfur trufluoride In dichloromethane; dimethyl sulfoxide at 0 - 20℃; for 0.5h; | 94% |
Stage #1: n-docosanoic acid With 4-methyl-morpholine; chloroformic acid ethyl ester In tetrahydrofuran at -20℃; for 0.5h; Stage #2: With sodium azide In tetrahydrofuran; water at -5℃; for 0.25h; Inert atmosphere; |
n-docosanoic acid
docosanoyl chloride
Conditions | Yield |
---|---|
With phosgene at 95℃; for 48h; | 93.2% |
With thionyl chloride | |
With thionyl chloride at 85℃; |
n-docosanoic acid
1-amino-3-(dimethylamino)propane
N-(3-(dimethylamino)propyl)docosanamide
Conditions | Yield |
---|---|
With aluminum oxide; sodium fluoride at 165℃; for 11h; Inert atmosphere; | 92.41% |
at 150 - 180℃; for 10.5h; | |
Amidation; |
n-docosanoic acid
(2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)octadecane
(2S,3R,4R)-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)-2-N-docosanoyl-octadecane
Conditions | Yield |
---|---|
Stage #1: (2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-glucopyranosyl)octadecane With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h; activation; Stage #2: n-docosanoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Acylation; | 92% |
n-docosanoic acid
Conditions | Yield |
---|---|
Stage #1: (L)-2-hydroxy-1-hexadecyloxycarbonylethylammonium chloride With dmap In chloroform Stage #2: n-docosanoic acid With dicyclohexyl-carbodiimide In chloroform at 20℃; for 20h; | 92% |
chlorosulfuric acid chloromethyl ester
n-docosanoic acid
Conditions | Yield |
---|---|
Stage #1: n-docosanoic acid With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 20℃; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 0℃; for 18h; | 92% |
Conditions | Yield |
---|---|
With chloroformic acid ethyl ester; triethylamine In dichloromethane for 0.5h; Ambient temperature; | 90% |
n-docosanoic acid
(2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)octadecane
(2S,3R,4R)-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)-2-N-docosanoyl-octadecane
Conditions | Yield |
---|---|
Stage #1: (2S,3R,4R)-2-amino-1,4-di-O-benzyl-3-O-(2',3',4',6'-tetra-O-benzyl-β-D-galactopyranosyl)octadecane With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h; activation; Stage #2: n-docosanoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Acylation; | 90% |
n-docosanoic acid
(2S,3R,4R)-2-amino-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)octadecane
(2S,3R,4R)-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)-2-N-docosanoyl-octadecane
Conditions | Yield |
---|---|
Stage #1: (2S,3R,4R)-2-amino-3,4-di-O-benzyl-1-O-(2',3',4',6'-tetra-O-benzyl-α-D-galactopyranosyl)octadecane With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.5h; activation; Stage #2: n-docosanoic acid With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 3h; Acylation; | 90% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 0 - 20℃; for 22h; | 90% |
Molecule structure of Behenic acid (CAS NO.112-85-6):
IUPAC Name: Docosanoic acid
Molecular Weight: 340.58356 g/mol
Molecular Formula: C22H44O2
Density: 0.881 g/cm3
Melting Point: 72-80 °C(lit.)
Boiling Point: 391.8 °C at 760 mmHg
Flash Point: 176.3 °C
Index of Refraction: 1.458
Molar Refractivity: 105.53 cm3
Molar Volume: 386.3 cm3
Polarizability: 41.83×10-24 cm3
Surface Tension: 33.4 dyne/cm
Enthalpy of Vaporization: 67.66 kJ/mol
Vapour Pressure: 7.66E-07 mmHg at 25 °C
Water Solubility: 0.016 mg/L
Storage Temp.: 2-8 °C
XLogP3: 9.6
H-Bond Donor:1
H-Bond Acceptor: 2
Rotatable Bond Count: 20
Exact Mass: 340.334131
MonoIsotopic Mass: 340.334131
Topological Polar Surface Area: 37.3
Heavy Atom Count: 24
Complexity: 250
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI: InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N
EINECS: 204-010-8
Product Categories: Saturated Higher Fatty Acids;Alkylcarboxylic Acids;Biochemistry;Color Former & Related Compounds;Functional Materials;Higher Fatty Acids & Higher Alcohols;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Sensitizer
Behenic acid (CAS NO.112-85-6) is used in organic synthesis.
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
Hazardous Substances Data 112-85-6(Hazardous Substances Data)
As a dietary oil, behenic acid is poorly absorbed. In spite of its low bioavailability compared with OLEIC ACID, behenic acid is a Cholesterol-raising fatty acid in humans.
Behenic acid (CAS NO.112-85-6) is also named as 1-Docosanoic acid ; AI3-52709 ; Docosanoic acid ; Docosoic acid ; Glycon B-70 ; HSDB 5578 ; Hydrofol 2022-55 ; Hydrofol Acid 560 ; NSC 32364 ; UNII-H390488X0A ; n-Docosanoic acid . Behenic acid (CAS NO.112-85-6) is white to cream crystals or powder. It is stable and combustible. It is incompatible with bases, oxidizing agents, reducing agents.
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