Conditions | Yield |
---|---|
With potassium tert-butylate In tetrahydrofuran at 20℃; | 96% |
With sodium t-butanolate In water at 50℃; for 4h; Sealed tube; UV-irradiation; | 50 %Spectr. |
Conditions | Yield |
---|---|
With n-butyllithium; lithium iodide In tetrahydrofuran; hexane Ambient temperature; | 92% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 17h; Heating; Yields of byproduct given; | A 86% B n/a |
Conditions | Yield |
---|---|
With [CuCl(ClIPr)]; sodium t-butanolate; tert-butyl alcohol In tetrahydrofuran; hexane at 40℃; for 20h; Inert atmosphere; chemoselective reaction; | 86% |
Conditions | Yield |
---|---|
With bis(triphenylphosphine)iridium(I) carbonyl chloride; acetic anhydride; potassium iodide at 160℃; for 5h; Inert atmosphere; | 84% |
With carbon monoxide; 1,5-bis-(diphenylphosphino)pentane; acetic anhydride; potassium iodide; iron(II) chloride at 240℃; under 15201 Torr; for 3h; | 76% |
1,2-dibromohexadecane
1-Hexadecene
Conditions | Yield |
---|---|
With disodium telluride In ethanol Product distribution; Ambient temperature; study of the stereoselective debromination of various vicinal dibromoalkanes with sodium telluride, prepared from tellurium and Rongalite in aq. alkaline medium; | 82% |
With bis(4-methoxyphenyl)telluride In benzene Product distribution; Irradiation; | 70 (unit not given) |
hexadecanyl bromide
A
(E)-2-hexadecene
B
1-Hexadecene
Conditions | Yield |
---|---|
With bis(triphenylphosphine)nickel(II) chloride; n-butyllithium; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine In tetrahydrofuran; hexane Ambient temperature; | A 20% B 77% |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 20h; Heating; Yields of byproduct given; | A 62% B n/a |
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide Electrochemical reaction; Inert atmosphere; | A 27% B 42% C 27% |
1-Hexadecanol
A
dihexadecyl sulfide
B
16-mercaptohexadecanoate
C
1-Hexadecene
Conditions | Yield |
---|---|
With P, S at 171 - 180℃; for 6h; Product distribution; | A 26.6% B 24.5% C 39.2% |
Conditions | Yield |
---|---|
With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; ethanol; potassium hexamethylsilazane In toluene at 150℃; for 8h; Inert atmosphere; Molecular sieve; | 35% |
A
1-Hexadecene
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 60h; Heating; Yields of byproduct given; | A 14% B n/a |
1,3-Propandiol-hexadecanal-acetal
A
1-Hexadecene
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; mercury; zinc In diethyl ether for 36h; Heating; Yields of byproduct given; | A 6% B n/a |
2-ethoxy-1-bromo-hexadecane
1-Hexadecene
Conditions | Yield |
---|---|
With zinc; butan-1-ol |
A
(E)-2-hexadecene
B
1-Hexadecene
Conditions | Yield |
---|---|
under 300 Torr; |
1-Hexadecanol
1-Hexadecene
Conditions | Yield |
---|---|
With aluminum oxide at 340 - 355℃; bei der Dehydratisierung entsteht wohl im Gemisch mit Isomeren; | |
With aluminum oxide at 340 - 355℃; bei der Dehydratisierung; | |
With phosphoric acid; pyrographite bei der Dehydratisierung; |
Conditions | Yield |
---|---|
at 330 - 360℃; under 300 Torr; |
Conditions | Yield |
---|---|
at 450 - 550℃; |
Conditions | Yield |
---|---|
With diethyl ether |
hexadecan-2-ol
Stearoyl chloride
A
(E)-2-hexadecene
B
1-Hexadecene
Conditions | Yield |
---|---|
folgenden thermischen Zersetzung bei 320grad und 300 mm; |
Conditions | Yield |
---|---|
With anion-exchanger at 160℃; under 16 Torr; | |
Multi-step reaction with 2 steps 1: 36 percent / NaBH4 / ethanol / 8 h / Heating 2: 33 percent Chromat. / 30percent H2O2 / tetrahydrofuran / 2 h / 25 °C View Scheme |
nonadecan-2-one
A
1-Hexadecene
(1R,2R)-1-Methyl-2-tetradecyl-cyclobutanol
(1R,2S)-1-Methyl-2-tetradecyl-cyclobutanol
D
acetone
Conditions | Yield |
---|---|
With n-butyl stearate In tert-butyl alcohol Product distribution; Irradiation; various temperatures; |
1-bromo-hexane
10-bromodec-1-ene
A
dodecane
B
eicosa-1,19-diene
C
1-Decene
D
1-Hexadecene
Conditions | Yield |
---|---|
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Multistep reaction. Further byproducts given; | |
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Multistep reaction. Further byproducts given; |
1-bromo-hexane
10-bromodec-1-ene
A
dodecane
B
hexane
C
1-Hexadecene
Conditions | Yield |
---|---|
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Yield given. Multistep reaction; |
pentadecyl bromide
trimethylsulphonium iodide
A
1-pentadecene
B
1-Hexadecene
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane Ambient temperature; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
In methanol for 24h; Irradiation; |
Conditions | Yield |
---|---|
In methanol for 24h; Irradiation; |
Conditions | Yield |
---|---|
With fac-[Mn(1,2-bis(di-isopropylphosphino)ethane)(CO)3(CH2CH2CH3)]; hydrogen In diethyl ether at 25℃; under 37503.8 Torr; for 18h; | 99% |
With methanol; C30H30FeN6O9(3+)*3Cl(1-) at 90℃; under 11251.1 Torr; for 24h; Ionic liquid; | 81% |
With diethyl ether; nickel under 19000 Torr; Hydrogenation; |
1-Hexadecene
(+)-2-[(1R)-(hydroxymethyl)prop-2-enyl]-1H-isoindole-1,3-(2H)-dione
(2R)-(3E)-2-phthalimido-3-octadecen-1-ol
Conditions | Yield |
---|---|
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 20℃; for 12h; Reflux; Inert atmosphere; | 99% |
With tri(cycloxexyl)phosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene]ruthenium(IV) dichloride In dichloromethane Reflux; stereoselective reaction; | 99% |
Conditions | Yield |
---|---|
With [Rh(OH)cod]2 and diethylaminopropyltrimethoxysilane immobilized on SiO2 In neat (no solvent) at 40℃; for 0.25h; | 99% |
With C77H70N2OPtSi2 In toluene at 80℃; for 24h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Sealed tube; regioselective reaction; | 89 %Chromat. |
Conditions | Yield |
---|---|
With platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex at 80℃; | 99% |
Conditions | Yield |
---|---|
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; JoSPOPhos SL-J688-2; pyridinium p-toluenesulfonate In toluene at 80℃; for 16h; Inert atmosphere; Schlenk technique; Sealed tube; enantioselective reaction; | 98% |
1-Hexadecene
Conditions | Yield |
---|---|
2,2'-azobis(isobutyronitrile) at 100 - 105℃; for 1.66667h; | 97% |
1-Hexadecene
Conditions | Yield |
---|---|
With potassium hypophosphite; acetic acid; dibenzoyl peroxide at 40 - 50℃; under 8250.83 Torr; for 30h; | 96.52% |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) at 80℃; Inert atmosphere; | 96% |
With 2,2'-azobis(isobutyronitrile) at 100℃; for 0.25h; |
1-Hexadecene
phosphonic acid diethyl ester
hexadecanphosphonic acid diethyl ester
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 135℃; for 8h; | 96% |
Conditions | Yield |
---|---|
With [Rh(OH)cod]2 and diethylaminopropyltrimethoxysilane immobilized on SiO2 In neat (no solvent) at 40℃; for 0.25h; Catalytic behavior; Reagent/catalyst; | 96% |
(1,5-cyclooctadiene)rhodium/Aerosil 200 at 100℃; for 1h; | 98 % Chromat. |
With C77H70N2OPtSi2 In toluene at 80℃; for 24h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; regioselective reaction; | 91 %Chromat. |
Conditions | Yield |
---|---|
With [Rh(OH)cod]2 and diethylaminopropyltrimethoxysilane immobilized on SiO2 In neat (no solvent) at 40℃; for 0.25h; | 96% |
1-Hexadecene
N-(9-fluorenylmethoxycarbonyl)-S-trityl-L-cysteine
(L)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hexadecylsulfanyl-propionic acid
Conditions | Yield |
---|---|
Stage #1: N-(9-fluorenylmethoxycarbonyl)-S-trityl-L-cysteine With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; for 3h; Stage #2: 1-Hexadecene With 2,2'-azobis(isobutyronitrile) In 1,2-dichloro-ethane at 90℃; for 3h; | 96% |
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0℃; for 1h; | 95% |
With maleic anhydride; urea hydrogen peroxide adduct In dichloromethane at 18 - 20℃; for 20h; Inert atmosphere; | 93% |
With [2,2']bipyridinyl 1,1'-dioxide; dihydrogen peroxide; methyltrioxorhenium(VII) In dichloromethane; water for 24h; Ambient temperature; | 91% |
1-Hexadecene
1,2-dibromohexadecane
Conditions | Yield |
---|---|
With bromine In dichloromethane at 20℃; for 0.5h; | 95% |
With carbon disulfide; bromine | |
With bromine | |
With bromine In tetrachloromethane |
Conditions | Yield |
---|---|
Stage #1: 1-Hexadecene With diethylenetriaminepentaacetic acid (DTPA)-functionalized silica supported Pt at 60℃; for 0.5h; Stage #2: Dichloromethylsilane at 60℃; for 4h; Reagent/catalyst; | 95% |
With dihydrogen hexachloroplatinate |
1-Hexadecene
(2R)-(+)-1,2-hexadecanediol
Conditions | Yield |
---|---|
With AD-mix-β In water; tert-butyl alcohol at 0℃; dihydroxylation; | 95% |
Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane; water / 16 h / 0 - 20 °C / Inert atmosphere 2: acetic acid; water; [(S,S)-N,N’-bis(3,5-di-tertbutylsalicylidene)-1,2-cyclohexanediaminato(2-)]cobalt(II) / toluene / 12 h / 20 °C View Scheme |
1-Hexadecene
(2S)-(-)-1,2-hexadecanediol
Conditions | Yield |
---|---|
With AD-mix-α In water; tert-butyl alcohol at 0℃; dihydroxylation; | 95% |
Multi-step reaction with 2 steps 1: urea hydrogen peroxide adduct; maleic anhydride / dichloromethane / 20 h / 18 - 20 °C / Inert atmosphere 2: [InCl3(Co((R,R)-C6H10(NCHC6H2O(tert-butyl)2)2))2]; water / tetrahydrofuran / 24 h / 25 °C / Inert atmosphere; Sealed tube; Resolution of racemate View Scheme |
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 135℃; for 8h; | 95% |
With dibenzoyl peroxide at 130℃; for 0.333333h; |
1-Hexadecene
1-Iodo-perfluorodecane
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodohexacosane
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) at 80℃; Inert atmosphere; | 95% |
Conditions | Yield |
---|---|
With palladium diacetate In N,N-dimethyl-formamide at 130℃; for 0.0333333h; Schlenk technique; Microwave irradiation; regioselective reaction; | 95% |
1-Hexadecene
1-Hexadecanol
Conditions | Yield |
---|---|
With titanium(III) tetrahydroborate In dichloromethane at -20℃; for 0.3h; | 94% |
Multi-step reaction with 2 steps 1: chloroplatinic acid / 46 h / Heating 2: 1.) m-chloroperbenzoic acid, disodium hydrogen phosphate, 2.) water / 1.) methanol, RT, 24 h View Scheme |
Conditions | Yield |
---|---|
at 130℃; for 20h; Temperature; Inert atmosphere; | 91.4% |
1-Hexadecene
L-cysteine methyl ester hydrochloride
(L)-2-amino-3-hexadecylsulfanyl-propionic acid methyl ester
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 90℃; for 3h; | 91% |
Conditions | Yield |
---|---|
With sodium hypophosphite; 2,2'-azobis(isobutyronitrile); sulfuric acid In ethanol for 26h; Inert atmosphere; Reflux; | 91% |
With hypophosphorous acid In 1,4-dioxane; water at 180℃; for 1h; Microwave irradiation; Sealed tube; | 83% |
Conditions | Yield |
---|---|
With dihydrogen hexachloroplatinate In isopropyl alcohol at 80℃; for 3h; | 91% |
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine; [Hf6(μ3-O)4(mu3-OH)4(formato)5.9(eosinato Y)0.1(4'-(4-carboxylatophenyl)[2,2':6',2''-terpyridine]-5,5''-dicarboxylato-Fe(OTf)2)2] In acetonitrile at 20℃; for 2h; Catalytic behavior; Inert atmosphere; Schlenk technique; Irradiation; | 90% |
1-Hexadecene
(R)-2-(1-((tert-butyldimethylsilyl)oxy)but-3-en-2-yl)isoindoline-1,3-dione
(R,Z)-2-(1-((tert-butyldimethylsilyl)oxy)octadec-3-en-2-yl)isoindoline-1,3-dione
Conditions | Yield |
---|---|
With [Mo(adamantylimido)(CHC(CH3)2(phenyl))(C4H2N(CH3)2)(OC10H9BrC10H9(Br)O(tert-butyldimethylsilyl))] In benzene at 22℃; under 7 Torr; for 5h; Inert atmosphere; optical yield given as %de; stereoselective reaction; | 88% |
Conditions | Yield |
---|---|
With C10H14CoO5; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In tetrahydrofuran at 20℃; for 3h; regioselective reaction; | 88% |
IUPAC Name: Hexadec-1-ene
Following is the structure of 1-Hexadecene (CAS NO.629-73-2):
Empirical Formula: C16H32
Molecular Weight: 224.4253 g/mol
EINECS: 208-878-9
Index of Refraction: 1.44
Molar Refractivity: 75.9 cm3
Molar Volume: 287.7 cm3
Density: 0.779 g/cm3
Flash Point: 132.2 °C
Melting point: 3-5 °C(lit.)
Surface Tension: 27.2 dyne/cm
Enthalpy of Vaporization: 50.28 kJ/mol
Boiling Point: 284.8 °C at 760 mmHg
Vapour Pressure: 0.00499 mmHg at 25 °C
Product Categories of 1-Hexadecene (CAS NO.629-73-2): 1-Olefins (GC Standard);Analytical Chemistry; Standard Materials for GC
Water Solubility of 1-Hexadecene (CAS NO.629-73-2): 1.23E-03 mg/L at 25 °C
Appearance of 1-Hexadecene (CAS NO.629-73-2): clear colorless liquid
Canonical SMILES: CCCCCCCCCCCCCCC=C
InChI: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
InChIKey: GQEZCXVZFLOKMC-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD | skin | > 10gm/kg (10000mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0535205, |
rat | LC | inhalation | > 8500mg/m3/1H (8500mg/m3) | National Technical Information Service. Vol. OTS0535205, | |
rat | LD | oral | > 10gm/kg (10000mg/kg) | National Technical Information Service. Vol. OTS0535205, |
Hazard Codes: Xi
Risk Statements: 38
R38:Irritating to skin.
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: MM0479000
1-Hexadecene , its cas register number is 629-73-2. It also can be called (5-Aminobenzo[d]isoxazol-3-yl)carbamic acid tert-butyl ester ; 1-Cetene ; 1-n-Hexadecene ; Cetene ; Cetylene ; Dialene 16 ; Gulftene 16 ; Hexadecylene-1 ; alpha-Hexadecene ; alpha-Hexadecylene ; and n-Hexadec-1-ene .
1-Hexadecene (CAS NO.629-73-2) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
1-Hexadecene (CAS NO.629-73-2) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, chlorates, nitrates, peroxides. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization will not occur. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.
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