1-Octyne supplier | CasNO.629-05-0

Name
1-Octyne
EINECS 211-069-3
CAS No. 629-05-0
Article Data64
CAS DataBase
Density 0.763 g/cm³
Solubility Miscible with alcohol, ether and other organic solvents. Immiscible with water.
Melting Point -80 °C
Formula C₈H₁₄
Boiling Point 126.027 °C at 760 mmHg
Molecular Weight 110.199
Flash Point 17.778 °C
Transport Information UN 3295 3/PG 2
Appearance clear colourless to yellow liquid
Safety 16-62-33-26
Risk Codes 11-65-36/37/38
Molecular Structure
Hazard Symbols F,Xn,Xi
Synonyms 1-Octine(3CI);Hexylacetylene;n-Hexylacetylene;
PSA 0.00000
LogP 2.59000

Synthetic route

: 196302-07-5
oct-1-yn-3-yl benzoate

A: 629-05-0
n-octyne

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
tris(2,2'-bipyridine)nickel(II) tetrafluoroborate In N,N-dimethyl-formamide Ambient temperature; electrolysis;	A 55% B 97%

: 152212-49-2, 152212-73-2
1,2-dibromooctane

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 90℃; for 6h;	95%
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h; without <18>krone-6;	92%
With tetrabutylammomium bromide; potassium hydroxide In water at 150℃; for 10h;	90%

: 42843-49-2
(Z)-1-bromo-1-octene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 25℃; for 2h;	92%

: 13249-60-0
2-bromo-1-octene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 1h;	90%
With 1,2,4-Trimethylbenzene; sodium amide at 150℃;
With ammonia; sodium amide

: 51751-87-2
(E)-1-bromo-1-octene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h;	90%

: 21948-46-9, 72778-28-0
1,2-dichlorooctane

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 80℃; for 8h;	84%

: 16967-02-5
1-phenyl-1-octyne

: 536-74-3
phenylacetylene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 80℃; for 8h; Sonogashira Cross-Coupling;	80%

: 73642-95-2
2,2-dichloro-octane

A: 2809-67-8
oct-2-yne

B: 629-05-0
n-octyne

C: 1072-19-1
octa-1,2-diene

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 80℃; for 12h; Title compound not separated from byproducts;	A 15% B 62% C 7%

...Expand

: 139517-41-2
(E)-1,2-Bis(phenyltelluro)-1-octene

A: 629-05-0
n-octyne

B: 32294-60-3
diphenyl ditelluride

Conditions

Conditions	Yield
In chloroform-d1 at 40℃; for 6h; Irradiation; other ditelluroalkenes;	A 60% B n/a

: 81216-13-9
8-bromo-1-octyne

A: 39750-95-3
hexadeca-1,15-diyne

B: 629-05-0
n-octyne

Conditions

Conditions	Yield
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Yield given. Multistep reaction;	A 28% B n/a
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Yield given. Multistep reaction;

: 111-66-0
oct-1-ene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
In methyl cyclohexane; pentane at 15℃; Irradiation;	18%
In methyl cyclohexane; pentane at 15℃; Rate constant; Product distribution; Mechanism; Irradiation;	18%
Multi-step reaction with 3 steps 1: hydrogen bromide; dihydrogen peroxide / ethanol; water / 80 °C 2: potassium phosphate / ethanol / 0.17 h / 80 °C 3: potassium phosphate / ethanol / 80 °C View Scheme

: 152212-49-2, 152212-73-2
1,2-dibromooctane

A: 629-05-0
n-octyne

B: 13249-60-0
2-bromo-1-octene

C: 42843-49-2
(Z)-1-bromo-1-octene

D: 51751-87-2
(E)-1-bromo-1-octene

Conditions

Conditions	Yield
With potassium tert-butylate In Petroleum ether at 80℃; for 6h; Yield given;	A 6% B n/a C n/a D n/a
With potassium hydroxide; 1,8-Octanediol; tetraoctylammonium chloride 1.) petroleum ether, 75 degC; 2.) petroleum ether, 75 degC; Yield given. Multistep reaction;
With potassium tert-butylate In Petroleum ether Mechanism; Product distribution; temperature and time was variabled;

...Expand

: 2809-67-8
oct-2-yne

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With sodium
With 1,2,4-Trimethylbenzene; sodium amide at 150℃;

: 111-25-1
1-bromo-hexane

: 4301-14-8
acetylenemagnesium bromide

: 629-05-0
n-octyne

: 111-25-1
1-bromo-hexane

: 1066-26-8
sodium acetylide

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With tetrahydrofuran; N,N-dimethyl-formamide
With tetrahydrofuran; 1-methyl-pyrrolidin-2-one
In ammonia at -60℃;
With ammonia

: 15232-76-5
oct-3-yne

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With petroleum; sodium amide at 170℃;

: 16630-91-4
2-methylheptanal

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With phosphorus pentachloride ueber mehrere Stufen;

: 42843-49-2, 51751-87-2, 1119-88-6
1-bromo-oct-1-ene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With potassium hydroxide; mineral oil at 175℃;
With potassium phosphate In ethanol at 80℃;

: 1846-70-4
non-2-ynoic acid

: 629-05-0
n-octyne

Conditions

Conditions	Yield
at 200℃;

: 693-25-4
n-pentylmagnesium bromide

: 106-96-7
propargyl bromide

A: 629-05-0
n-octyne

B: 1072-19-1
octa-1,2-diene

Conditions

Conditions	Yield
With diethyl ether at -15℃;

...Expand

: 73383-25-2
1,1-dibromo-1-octene

: 629-05-0
n-octyne

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide In benzene for 0.166667h; Ambient temperature;	90 % Chromat.
With n-butyllithium In hexane at -78 - 20℃; for 5h;

: 73383-25-2
1,1-dibromo-1-octene

A: 629-05-0
n-octyne

B: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
With 1,1-Dibromoethane; magnesium In tetrahydrofuran for 4h; Heating; Yield given. Yields of byproduct given;

: 111-83-1
1-bromo-octane

: 81216-13-9
8-bromo-1-octyne

A: 111-65-9
octane

B: 39750-95-3
hexadeca-1,15-diyne

C: 629-05-0
n-octyne

D: 544-76-3
Hexadecane

Conditions

Conditions	Yield
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Multistep reaction. Further byproducts given;

...Expand

: 111-83-1
1-bromo-octane

: 81216-13-9
8-bromo-1-octyne

A: 39750-95-3
hexadeca-1,15-diyne

B: 629-74-3
hexadec-1-yne

C: 629-05-0
n-octyne

D: 544-76-3
Hexadecane

Conditions

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; Yield given. Multistep reaction. Further byproducts given;
With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Multistep reaction. Further byproducts given;

...Expand

: 111-66-0
oct-1-ene

A: 111-65-9
octane

B: 124-18-5
decane

C: 7642-04-8
cis-2-octene

D: 13389-42-9
trans-2-Octene

E: 629-05-0
n-octyne

Conditions

Conditions	Yield
In pentane for 3h; Quantum yield; Mechanism; Product distribution; Irradiation; various wavelengths;	A 1.8 % Chromat. B 22 % Chromat. C 18 % Chromat. D 15 % Chromat. E 27 % Chromat.

...Expand

: 111-66-0
oct-1-ene

A: 111-65-9
octane

B: 7642-04-8
cis-2-octene

C: 13389-42-9
trans-2-Octene

D: 629-05-0
n-octyne

Conditions

Conditions	Yield
With oxygen In pentane for 3h; Irradiation; Further byproducts given. Title compound not separated from byproducts;	A 0.1 % Chromat. B 20 % Chromat. C 10 % Chromat. D 20 % Chromat.

...Expand

: 111-66-0
oct-1-ene

A: 124-18-5
decane

B: 7642-04-8
cis-2-octene

C: 13389-42-9
trans-2-Octene

D: 629-05-0
n-octyne

Conditions

Conditions	Yield
In pentane for 3h; Irradiation; Further byproducts given. Title compound not separated from byproducts;	A 22 % Chromat. B 18 % Chromat. C 15 % Chromat. D 27 % Chromat.

...Expand

: 111-66-0
oct-1-ene

A: 629-05-0
n-octyne

B: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With perchloric acid; air; Pd(OAc)2-OPTA In 1,4-dioxane; water at 70℃; for 6h;	A 10 % Chromat. B 90 % Chromat.
With perchloric acid; air; Pd(OAc)2-OPTA In ethanol at 70℃; for 3.66667h;	A 90 % Chromat. B 8 % Chromat.

: 21948-46-9, 72778-28-0
1,2-dichlorooctane

A: 629-05-0
n-octyne

B: 31283-43-9
2-chloro-oct-1-ene

C: 59871-24-8
(E)-1-chlorooct-1-ene

D: 64531-23-3
1c-chloro-oct-1-ene

Conditions

Conditions	Yield
With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 75℃; Product distribution; Quantum yield; comparative studies of the conversion with or without pinacol as cocatalyst;

...Expand

: 21948-46-9, 72778-28-0
1,2-dichlorooctane

A: 629-05-0
n-octyne

B: 13249-60-0
2-bromo-1-octene

C: 42843-49-2
(Z)-1-bromo-1-octene

D: 51751-87-2
(E)-1-bromo-1-octene

Conditions

Conditions	Yield
With potassium hydroxide; 2,3-dimethyl-2,3-butane diol; tetraoctyl ammonium bromide 1.) petroleum ether, 75 degC; 2.) petroleum ether, 75 degC; Multistep reaction;

...Expand

: 629-05-0
n-octyne

: 111-66-0
oct-1-ene

Conditions

Conditions	Yield
With zirconocene dichloride; tert-butylmagnesium chloride; water Product distribution; multistep reaction; other hydrozirconation agents; other substrates;	100%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 2.5h;	95%
With 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine cobalt(II) dichloride; diethoxymethylane; sodium triethylborohydride In neat (no solvent) at -78 - 40℃; for 1h;	95%

: 50-00-0
formaldehyd

: 629-05-0
n-octyne

: 5921-73-3
2-nonyn-1-ol

Conditions

Conditions	Yield
Stage #1: n-octyne With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; for 1h; Inert atmosphere; Stage #2: formaldehyd In tetrahydrofuran; hexane at -78 - 20℃; for 16h; Inert atmosphere;	100%
Stage #1: n-octyne With n-butyllithium In diethyl ether; hexane at -78℃; for 0.5h; Stage #2: formaldehyd In diethyl ether; hexane at 20℃;	98%
Stage #1: n-octyne With n-butyllithium In diethyl ether; hexane at -78℃; Inert atmosphere; Stage #2: formaldehyd In diethyl ether; hexane at -78 - 20℃; for 14.5h; Inert atmosphere;	88%

: 629-05-0
n-octyne

: PhIO*TfOH

: <2-<(trifluoromethanesulfonyl)oxy>-1-octenyl>(phenyl)iodonium trifluoromethanesulfonate

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	100%

: 629-05-0
n-octyne

: 122220-13-7
PhI(OH)OTs

: <2-<(trifluoromethanesulfonyl)oxy>-1-octenyl>(phenyl)iodonium trifluoromethanesulfonate

Conditions

Conditions	Yield
In dichloromethane for 2h; Ambient temperature;	100%

: 629-05-0
n-octyne

: 111-65-9
octane

Conditions

Conditions	Yield
With hydrogen In neat (no solvent) at 30℃; for 5h; Catalytic behavior; Flow reactor;	100%
With iron(III) chloride hexahydrate; hydrazine hydrate In ethanol at 20℃; for 24h;	99%
With 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine cobalt(II) dichloride; diethoxymethylane; sodium triethylborohydride In neat (no solvent) at -78 - 40℃; for 2h;	95%

: 629-05-0
n-octyne

: 64531-26-6
1-chloro-1-octyne

Conditions

Conditions	Yield
With N-chloro-succinimide; silver(I) acetate In acetone Inert atmosphere; Reflux;	100%
With N-chloro-succinimide; potassium carbonate; silver carbonate In propan-1-ol at 50℃; for 20h; Sealed tube; Inert atmosphere; Green chemistry;	86%
With N-chloro-succinimide; n-butyllithium In tetrahydrofuran -25 deg C, 2 h -> -10 deg C, 30 min -> room temperature;	78%
With N-chloro-succinimide; potassium carbonate; silver carbonate In propan-1-ol at 50℃; for 5h; Inert atmosphere;	75%
With n-butyllithium; benzenesulfonyl chloride In tetrahydrofuran; hexane at 35℃; for 1h;	68%

: 629-05-0
n-octyne

: 38761-67-0
1-bromo-1-octyne

Conditions

Conditions	Yield
With N-Bromosuccinimide; silver nitrate In acetone at 20℃; for 3h; Inert atmosphere;	100%
Stage #1: n-octyne With n-butyllithium In tetrahydrofuran at -78℃; for 0.5h; Stage #2: With bromine In tetrahydrofuran at -78℃; for 0.25h; Reagent/catalyst;	96%
With N-Bromosuccinimide; silver nitrate In acetone at 20℃; Inert atmosphere;	88%

: 629-05-0
n-octyne

: 696-62-8
para-iodoanisole

: 144493-14-1
1-methoxy-4-(oct-1-ynyl)benzene

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 4h; Sonogashira-Linstrumelle coupling; Inert atmosphere;	100%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 60℃;	99%
With tetra(n-butyl)ammonium hydroxide; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In tetrahydrofuran at 20℃; for 6h; Sonogashira-Hagihara coupling;	98%

: 629-05-0
n-octyne

: 103-19-5
di(p-tolyl) disulfide

: 137540-56-8
(Z)-1,2-bis[(4-methylphenyl)thio]oct-1-ene

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; rhodium hydrido (PEt3)3 complex; trifluorormethanesulfonic acid In 1,2-dichloro-ethane for 3h; Heating;	100%
With MCM-41-supported bidentate phosphine palladium(0) complex In toluene at 140℃; for 2h; Inert atmosphere; Sealed tube; stereoselective reaction;	92%

: 629-05-0
n-octyne

poly(methylhydrosiloxane): poly(methylhydrosiloxane)

Poly[methyl(1-octen-1-yl)siloxane]: Poly[methyl(1-octen-1-yl)siloxane]

Conditions

Conditions	Yield
bis(tetrabutylammonium) hexachloroplatinate(IV) at 60℃; for 24h;	100%

: 629-05-0
n-octyne

: 609-73-4
o-nitroiodobenzene

: 1-nitro-2-(oct-1-yn-1-yl)benzene

Conditions

Conditions	Yield
With copper(l) iodide; C27H34Cl2N4Pd; potassium carbonate; triphenylphosphine In ethanol at 60℃; for 13h; Solvent; Reagent/catalyst; Time; Sonogashira Cross-Coupling;	100%
With triethylamine; zinc dibromide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 23℃;	89%
Stage #1: o-nitroiodobenzene With bis(triphenylphosphine)palladium(II) chloride; triethylamine at 20℃; for 0.166667h; Stage #2: n-octyne With copper(l) iodide at 20℃; for 6h;

: 629-05-0
n-octyne

: 4559-70-0
Diphenylphosphine oxide

: 178943-30-1
[(E)-1-octen-1-yl]diphenylphosphine oxide

Conditions

Conditions	Yield
tris(triphenylphosphine)rhodium(I) iodide In toluene at 20℃; for 1h;	100%
With triethylamine; rhodium(III) chloride In ethanol; toluene at 80℃; for 3h;	97%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer In 1,4-dioxane; water for 8h;	96%

: 629-05-0
n-octyne

: bis(2-phenylethyl)phosphane sulfide

: oct-1-enyl(diphenethyl)phosphine sulfide

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In 1,4-dioxane at 60 - 65℃;	100%

: 629-05-0
n-octyne

: 615-43-0
2-iodophenylamine

: 157869-10-8
2-(oct-1-yn-1-yl)aniline

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In triethylamine at 50℃; for 5h; Inert atmosphere;	100%
With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide at 20℃; for 2h; Sonogashira coupling reaction;	99%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 20℃; for 24h; Sonogashira Cross-Coupling; Inert atmosphere;	99%

latter phosphonate: latter phosphonate

: 96-36-6, 868-85-9
methyl phosphite

: 629-05-0
n-octyne

: 174781-89-6
dimethyl 1-octen-2-yl-phosphonate

: dimethyl (E)-octenylphosphonate

Conditions

Conditions	Yield
palladium diacetate	100%

...Expand

cis-PdMe2(PPhMe2)2were: cis-PdMe2(PPhMe2)2were

: 629-05-0
n-octyne

: 1707-03-5
diphenyl-phosphinic acid

: 4559-70-0
Diphenylphosphine oxide

A: 178943-30-1
[(E)-1-octen-1-yl]diphenylphosphine oxide

B: 2-(diphenylphosphinyl)-1-octene

Conditions

Conditions	Yield
In benzene	A 100% B n/a

...Expand

: 629-05-0
n-octyne

: 876621-18-0
trans-[Pt(C6H4Me-p)(SC6H4OCH3-p)(PPh3)2]

: 624-31-7
4-tolyl iodide

: 67254-06-2, 53424-02-5
trans-PtI(PPh3)2C6H4Me-p

Conditions

Conditions	Yield
With triphenylphosphine In (2)H8-toluene byproducts: p-CH3C6H4CHC(n-C6H13)SC6H4OCH3-p, p-CH3C6H4SC6H4OCH3-p; P(C6H5)3, toluene-d8, 110°C, 10 h; detected by NMR spectra;	100%

...Expand

: 629-05-0
n-octyne

: 14684-32-3
ethyl phosphinate

: 853411-40-2
(E)-oct-1-enylphosphinic acid ethyl ester

Conditions

Conditions	Yield
Pd2(dba)3/xanthphos In acetonitrile for 12h; Heating;	100%

: 629-05-0
n-octyne

: 352-34-1
4-fluoro-1-iodobenzene

: 201735-31-1
1-(4-fluorophenyl)-2-hexylacetylene

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In diisopropylamine; toluene at 40℃; for 7h;	100%
With copper(l) iodide; iron; caesium carbonate; triphenylphosphine In N,N-dimethyl-formamide at 110℃; for 20h; Sonogashira coupling; Inert atmosphere;	84%
Stage #1: 4-fluoro-1-iodobenzene With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine for 0.166667h; Inert atmosphere; Stage #2: n-octyne at 25℃; Inert atmosphere;	52%

: 629-05-0
n-octyne

: 88-05-1
2,4,6-trimethylaniline

: 914388-61-7
2,4,6-trimethyl-N-(octan-2-ylidene)aniline

Conditions

Conditions	Yield
With C18H5AlF36O4Zn In benzene-d6 at 60℃; for 2h; Inert atmosphere; regioselective reaction;	100%
With C33H49Cl2N2PPd; silver trifluoromethanesulfonate In acetonitrile at 80℃; for 25h; Inert atmosphere; Schlenk technique;	59%
With silver hexafluoroantimonate; C25H28Au2Br2N4 In neat (no solvent) at 40℃; for 4h; Inert atmosphere; Schlenk technique;	76 %Spectr.
With (η1,η5)bis(pentamethylcyclopentadienyl)zinc; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In benzene-d6 at 20℃; for 4h; Inert atmosphere; regioselective reaction;

: 629-05-0
n-octyne

: 26198-26-5
6-methyl-1H-benzo[d][1,2,3]triazol-1-ol

: 1422198-30-8
6-methyl-1-(oct-1-en-2-yloxy)-1H-benzo[d][1,2,3]triazole

Conditions

Conditions	Yield
With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate In 1,2-dichloro-ethane at 20℃; regioselective reaction;	100%

: 629-05-0
n-octyne

: 78-84-2
isobutyraldehyde

: 100-46-9
benzylamine

: 1355023-06-1
benzyl(2-methylundec-4-yn-3-yl)amine

Conditions

Conditions	Yield
With copper(I) bromide dimethylsulfide complex In toluene at 150℃; for 0.416667h; Inert atmosphere; Microwave irradiation;	100%

...Expand

: 629-05-0
n-octyne

: N-(benzenesulfonyl)-4-bromo-1,2-dihydroquinoline

: N-(benzenesulfonyl)-4-(1-octynyl)-1,2-dihydroquinoline

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 50℃; for 3h; Inert atmosphere;	100%

: 629-05-0
n-octyne

: 1147996-79-9
[(pentamethylcyclopentadienyl)Ir(2-phenylpyridine(-1H))(CH3CN)]PF6

: C31H40IrN2(1+)*F6P(1-)

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 0.166667h;	100%

: 629-05-0
n-octyne

: 7677-24-9
trimethylsilyl cyanide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 3-hexyl-1-methyl-1H-pyrrole-2-carbonitrile

Conditions

Conditions	Yield
With ammonium iodide at 100℃; for 3h; Reagent/catalyst; Temperature;	100%
With iodine In neat (no solvent) at 80℃; for 2h; Schlenk technique; Green chemistry;	83%

...Expand

: 629-05-0
n-octyne

: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With methyl(triphenylphosphine)gold(I); trifluorormethanesulfonic acid In methanol; water at 70℃; for 1h;	99%
With carbon monoxide; water; methyl(triphenylphosphine)gold(I); sulfuric acid In methanol at 70℃; under 760.051 Torr; for 1h; Product distribution / selectivity;	99%
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 1.5h; Temperature;	98%

: 629-05-0
n-octyne

: 81438-46-2
1-iodooct-1-yne

Conditions

Conditions	Yield
Stage #1: n-octyne With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; for 0.333333h; Inert atmosphere; Stage #2: With iodine In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Inert atmosphere;	99%
With iodine; potassium carbonate; copper(l) iodide; tetrabutyl-ammonium chloride In N,N-dimethyl-formamide Ambient temperature; overnight;	98%
With copper(l) iodide; tetrabutylammomium bromide; iodine; triethylamine In water at 20℃; for 24h;	95%

: 629-05-0
n-octyne

: 42599-17-7
(E)-1-iodo-1-octene

Conditions

Conditions	Yield
Stage #1: n-octyne With diisobutylaluminium hydride In hexane at 50℃; for 3h; Stage #2: With iodine In tetrahydrofuran at -50 - 20℃;	99%
Stage #1: n-octyne With diisobutylaluminium hydride In hexane at 20 - 50℃; for 3h; Stage #2: With iodine In tetrahydrofuran at -50 - 20℃;	96%
Stage #1: n-octyne With diisobutylaluminium hydride In hexane at 50℃; for 4h; Stage #2: With iodine In tetrahydrofuran at -50 - 20℃;	95%

: 1719-57-9
Chloro(chloromethyl)dimethylsilane

: 629-05-0
n-octyne

: 91898-67-8
1-(chloromethyl)dimethylsilyl-1-octyne

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78℃;	99%

: 629-05-0
n-octyne

: 124-38-9
carbon dioxide

: 1846-70-4
non-2-ynoic acid

Conditions

Conditions	Yield
With 3-(1-mesityl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate; caesium carbonate; potassium iodide; silver(l) oxide In N,N-dimethyl-formamide at 35℃; under 750.075 Torr; for 24h; Darkness;	99%
With (4,7-diphenyl-1,10-phenanthroline)bis(triphenylphosphine)copper(I) nitrate; caesium carbonate In N,N-dimethyl-formamide at 50℃; under 750.075 Torr; for 16h;	97%
With (4,7-diphenyl-1,10-phenanthroline)bis(triphenylphosphine)copper(I) nitrate; caesium carbonate In N,N-dimethyl-formamide at 50℃; under 750.075 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Temperature;	95%

1-Octyne Chemical Properties

Empirical Formula: C₈H₁₄
Molecular Weight: 110.1968 g/mol
EINECS: 211-069-3
Index of Refraction: 1.425
Density: 0.763 g/cm³
Flash Point: 17.8 °C
Enthalpy of Vaporization: 35.83 kJ/mol
Boiling Point: 126 °C at 760 mmHg
Vapour Pressure: 14.4 mmHg at 25°C
Melting point: -80 °C
Storage tempreture: Flammables area
Appearance: Clear colourless to yellow liquid
Structure of 1-Octyne (CAS NO.629-05-0):

IUPAC Name: Oct-1-yne
Product Categories of 1-Octyne (CAS NO.629-05-0): Miscellaneous;Alkynes;Acetylenic Hydrocarbons;Organic Building Blocks;Terminal

1-Octyne Toxicity Data With Reference

dns-ham:lvr 100 µmol/L

CRNGDP Carcinogenesis. 6 (1985),1201.

1-Octyne Consensus Reports

Reported in EPA TSCA Inventory.

1-Octyne Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes of 1-Octyne (CAS NO.629-05-0): F, Harmful Xn, Irritant Xi
Risk Statements: 11-65-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
R65:Harmful: may cause lung damage if swallowed.
Safety Statements: 16-62-33-26
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S33:Take precautionary measures against static discharges.
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

1-Octyne Specification

1-Octyne ,its cas register number is 629-05-0. It also can be called Oct-1-in .

Product Name

1-Octyne

Synthetic route

1-Octyne Chemical Properties

1-Octyne Toxicity Data With Reference

1-Octyne Consensus Reports

1-Octyne Safety Profile

1-Octyne Specification

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