7-Octyn-1-ol supplier | CasNO.871-91-0

Name
7-Octyn-1-ol
EINECS
CAS No. 871-91-0
Article Data66
CAS DataBase
Density 0.889 g/cm³
Solubility
Melting Point -39°C (estimate)
Formula C₈H₁₄O
Boiling Point 191.5 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 116.3 °C
Transport Information
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms 8-Hydroxy-1-octyne;Oct-7-yn-1-ol;Octane-7-yne-1-ol;
PSA 20.23000
LogP 1.56240

Synthetic route

: 14916-80-4
oct-3-yn-1-ol

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With sodium hydride In ethylenediamine; mineral oil at 45 - 65℃;	100%
With potassium hydride; Trimethylenediamine for 18h; Ambient temperature;	97%
With potassium tert-butylate; lithium In ethylenediamine at 25℃; for 3h;	96%

: 10297-09-3
oct-7-ynoic acid

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere;	96%
Multi-step reaction with 2 steps 1: diethyl ether 2: LiAlH4 / diethyl ether / 2 h / 0 °C View Scheme
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h;

: 20739-58-6
2-octyn-1-ol

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With sodium hydride; Trimethylenediamine In hexane; mineral oil at 0 - 20℃; for 3h;	91%
With potassium salt of 1,3-diaminopropane In ammonia	90%
With sodium hydride; ethylenediamine	86%

: 34126-19-7
4-octyne-1-ol

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With sodium amide; Trimethylenediamine at 80℃; for 2.5h;	90%
With sodium amide; Trimethylenediamine at 80℃; for 4h;	72.1%

: 16695-31-1
1-(2-Tetrahydropyranyloxy)-7-octyne

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 144h;	80%

: 52517-97-2
1-triphenylmethyloxyoct-7-yne

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With water; trifluoroacetic acid In dichloromethane	79%

: 119837-87-5
8-(t-Butyldimethylsilyloxy)-1-octyne

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With water In tetrahydrofuran; water; acetic acid at 80 - 90℃; for 2h;	75%

: 14916-80-4
oct-3-yn-1-ol

: 107-15-3
ethylenediamine

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Stage #1: ethylenediamine With sodium hydride at 0 - 60℃; for 1h; Inert atmosphere; Stage #2: oct-3-yn-1-ol at 60℃; for 1h; Inert atmosphere;	58%

: 24612-83-7
1-octene-4-yne

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
(i) 9-bora-bicyclo<3.3.1>nonane, THF, (ii) propane-1,3-diamine , benzene, (iii) H2O2, aq. NaOH; Multistep reaction;

: 18458-50-9
7-octynoic acid methyl ester

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; Yield given;
With lithium borohydride In tetrahydrofuran Reduction;

: 188579-46-6
1-ethoxyethyl 7-octynyl ether

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
With hydrogenchloride In methanol

: 110-53-2
1-Bromopentane

Fe(CN)5: Fe(CN)5

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: n-BuLi / tetrahydrofuran; hexamethylphosphoric acid triamide 2: KNH(CH2)3NH2 View Scheme

: 110-53-2
1-Bromopentane

sodium cyclohexylmalonic acid ester: sodium cyclohexylmalonic acid ester

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) Li, NH3, Fe(NO3)3 / 1.) -78 deg C, 30 min, 2.) -78 deg C, 1.5 h 2: 82 percent / Li, 1,2-diaminopropane, tert-BuOK / 1 h View Scheme

: 28659-22-5
6-(tetrahydro-2H-pyranyloxy)hexan-1-ol

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 84 percent / pyridine / CH2Cl2 / 16 h / Ambient temperature 2: 46 percent / I2, 1,2-bis(diphenylphosphino)ethane / CH2Cl2 / 4 h / Ambient temperature 3: 34 percent / dimethylsulfoxide / 2 h / Ambient temperature 4: 79 percent / trifluoroacetic acid, H2O / CH2Cl2 View Scheme

: 629-11-8
1,6-hexanediol

: 871-91-0
oct-7-yn-1-ol

: 158576-27-3
1-iodo-6-triphenylmethyloxyhexane

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 34 percent / dimethylsulfoxide / 2 h / Ambient temperature 2: 79 percent / trifluoroacetic acid, H2O / CH2Cl2 View Scheme

: 158576-23-9
1-tetrahydropyranyloxy-6-triphenylmethyloxyhexane

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 46 percent / I2, 1,2-bis(diphenylphosphino)ethane / CH2Cl2 / 4 h / Ambient temperature 2: 34 percent / dimethylsulfoxide / 2 h / Ambient temperature 3: 79 percent / trifluoroacetic acid, H2O / CH2Cl2 View Scheme

: 3003-84-7
Tetrahydrofurfuryl chloride

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 80 percent / LiNH2 / liquid ammonia / 3 h 2: 90 percent / NaNH2, H2N(CH2)3NH2 / 2.5 h / 80 °C View Scheme

: 4224-70-8
6-bromohexanoic acid

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NH3 / tetrahydrofuran / 15 h 2: diethyl ether 3: LiAlH4 / diethyl ether / 2 h / 0 °C View Scheme
Multi-step reaction with 2 steps 1: 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: n-butyllithium; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / tetrahydrofuran / 1.25 h / -78 °C 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / 20 °C 3: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C View Scheme

: 59431-24-2
1-(tert-butyl-dimethylsilyloxy)-6-chloro-hexane

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodiumiodideo / acetone / 36 h / Heating 2: dimethylformamide / 2 h / Ambient temperature 3: 75 percent / water / acetic acid; tetrahydrofuran; H2O / 2 h / 80 - 90 °C View Scheme

: 103483-32-5
1-iodo-6-(tert-butyldimethylsiloxy)hexane

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethylformamide / 2 h / Ambient temperature 2: 75 percent / water / acetic acid; tetrahydrofuran; H2O / 2 h / 80 - 90 °C View Scheme

: 110-53-2
1-Bromopentane

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 84 percent / LiNH2, liq. NH3 2: 78 percent / t-BuOK, Li, H2N-(CH2)3-NH2 View Scheme
Multi-step reaction with 2 steps 1: 85 percent / LiNH2 / liquid ammonia 2: 90 percent / K(1+)*NH(1-)(CH2)3NH2 / liquid ammonia View Scheme
Multi-step reaction with 2 steps 1: 85 percent / LiNH2 / liquid ammonia 2: 85 percent / H2N(CH2)3NH2, Li, t-BuOK View Scheme
Multi-step reaction with 2 steps 1: ammonia; Iron(III) nitrate nonahydrate; lithium / tetrahydrofuran / -78 - 20 °C 2: sodium hydride; ethylenediamine / mineral oil / 0 - 70 °C View Scheme

: 1013026-76-0
8-(trimethylsilyl)-oct-7-ynoic acid

: 871-91-0
oct-7-yn-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / 20 °C 2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C View Scheme

: 871-91-0
oct-7-yn-1-ol

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

Conditions

Conditions	Yield
With carbon tetrabromide; triphenylphosphine In dichloromethane for 1h; Inert atmosphere; Reflux;	100%
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 0 - 20℃; Inert atmosphere;	60%
With phosphorus tribromide at 0℃;
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃; for 2h;
With carbon tetrabromide; triphenylphosphine In dichloromethane for 1h; Reflux; Inert atmosphere;

: 871-91-0
oct-7-yn-1-ol

: 119837-87-5
8-(t-Butyldimethylsilyloxy)-1-octyne

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 16h;	100%
With 1H-imidazole In N,N-dimethyl-formamide at 35℃; for 12h;	99%
With 1H-imidazole; dmap In tetrahydrofuran at 0℃; for 1.08333h; Inert atmosphere;	95%

: 871-91-0
oct-7-yn-1-ol

: 79-04-9
chloroacetyl chloride

: 951122-40-0
7-octynyl 2-chloroacetate

Conditions

Conditions	Yield
In dichloromethane at -5 - 20℃; for 4h;	100%

: 75-77-4
chloro-trimethyl-silane

: 871-91-0
oct-7-yn-1-ol

: 86530-15-6
8-(trimethylsilyl)oct-7-yn-1-ol

Conditions

Conditions	Yield
Stage #1: oct-7-yn-1-ol With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; for 0.333333h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran; hexane at -78 - 20℃;	100%
Stage #1: oct-7-yn-1-ol With n-butyllithium In tetrahydrofuran at -78℃; for 1.5h; Inert atmosphere; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -78 - 20℃; Inert atmosphere;	90%
Stage #1: oct-7-yn-1-ol With n-butyllithium Stage #2: chloro-trimethyl-silane	83%
Stage #1: oct-7-yn-1-ol With n-butyllithium In tetrahydrofuran at 0℃; for 0.666667h; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at 0 - 20℃; for 2h;	80%
Stage #1: oct-7-yn-1-ol With methylmagnesium bromide In tetrahydrofuran; diethyl ether at 0 - 20℃; for 16h; Inert atmosphere; Stage #2: chloro-trimethyl-silane In tetrahydrofuran; diethyl ether for 8h; Inert atmosphere;

: 110-87-2
3,4-dihydro-2H-pyran

: 871-91-0
oct-7-yn-1-ol

: 16695-31-1
1-(2-Tetrahydropyranyloxy)-7-octyne

Conditions

Conditions	Yield
camphor-10-sulfonic acid In dichloromethane at 0 - 20℃;	99%
With toluene-4-sulfonic acid	96%
With toluene-4-sulfonic acid In dichloromethane for 8h; Ambient temperature;	85%
With toluene-4-sulfonic acid In dichloromethane at 0 - 20℃; for 0.25h;	84%

: 871-91-0
oct-7-yn-1-ol

: 58479-61-1
tert-butylchlorodiphenylsilane

: 139140-55-9
7-octyn-1-yl tert-butyldiphenylsilyl ether

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 0 - 20℃; for 5h;	99%
With 1H-imidazole In N,N-dimethyl-formamide for 2h; Ambient temperature;	93%
With 1H-imidazole In N,N-dimethyl-formamide for 2h; Ambient temperature;	93%
Yield given;

: 1192358-22-7
N-(2-azidoethyl)-4-pentylbenzamide

: 871-91-0
oct-7-yn-1-ol

: 1430850-09-1
N-(2-(4-(6-hydroxyhexyl)-1H-1,2,3-triazol-1-yl)ethyl)-4-pentylbenzamide

Conditions

Conditions	Yield
With copper(II) sulfate; sodium L-ascorbate In dichloromethane; water; tert-butyl alcohol at 20℃; for 16h; Huisgen Cycloaddition;	99%

: 871-91-0
oct-7-yn-1-ol

: 107-30-2
chloromethyl methyl ether

: 1-methoxymethoxy-7-octyne

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 21h;	98%

: 871-91-0
oct-7-yn-1-ol

: 82402-15-1
oct-6-yn-1-ol

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 80℃; Rearrangement;	96%
With potassium tert-butylate In dimethyl sulfoxide at 80℃; for 0.0833333h;	93%
With potassium tert-butylate In dimethyl sulfoxide at 80 - 83℃; for 0.0833333h;	84.5%

: 871-91-0
oct-7-yn-1-ol

: 333754-13-5
8-iodo-7-octyn-1-ol

Conditions

Conditions	Yield
With potassium hydroxide; iodine In methanol; water at 20℃; for 3h;	95%
With potassium hydroxide; iodine In methanol at 20℃; for 3h;	95%
Stage #1: oct-7-yn-1-ol With potassium hydroxide In methanol; water at 0℃; for 0.166667h; Stage #2: With iodine In methanol; water at 20℃; for 3.5h;	84%

: 871-91-0
oct-7-yn-1-ol

: 100-39-0
benzyl bromide

: ((oct-7-yn-1-yloxy)methyl)benzene

Conditions

Conditions	Yield
Stage #1: oct-7-yn-1-ol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Stage #2: benzyl bromide In tetrahydrofuran; mineral oil at 0 - 20℃; for 2h;	95%
Stage #1: oct-7-yn-1-ol With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran; N,N-dimethyl-formamide at 0 - 20℃; for 3h; Inert atmosphere;	92%

: 871-91-0
oct-7-yn-1-ol

: 13175-44-5
oct-7-en-1-ol

Conditions

Conditions	Yield
With hydrogen; Lindlar's catalyst In methanol for 0.75h;	94%

: 871-91-0
oct-7-yn-1-ol

: 821-75-0
oct-7-yn-al

Conditions

Conditions	Yield
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -60 - 0℃; Swern oxidation;	94%
Stage #1: oct-7-yn-1-ol With phosgene; dimethyl sulfoxide In dichloromethane at -78℃; for 0.25h; Swern Oxidation; Inert atmosphere; Stage #2: With triethylamine In dichloromethane; dimethyl sulfoxide at 20℃; for 4h; Inert atmosphere; Further stages;	88%
With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine In dichloromethane Inert atmosphere;	86%

: 871-91-0
oct-7-yn-1-ol

: 197218-85-2
ethyl (2Z)-4,4,4-trifluoro-3-iodobut-2-enoate

: (E)-11-Hydroxy-3-trifluoromethyl-undec-2-en-4-ynoic acid ethyl ester

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine for 24h; Ambient temperature;	93%

: 868132-31-4
10-((tert-butyldiphenylsilyl)oxy)decanoic acid

: 871-91-0
oct-7-yn-1-ol

: 868132-33-6
10-(tert-butyldiphenylsilanyloxy)decanoic acid oct-7-ynyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In diethyl ether at 20℃; for 16h;	93%

: 871-91-0
oct-7-yn-1-ol

: 10297-09-3
oct-7-ynoic acid

Conditions

Conditions	Yield
With Jones reagent	92%
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; sodium chloride In 1,2-dichloro-ethane at 20℃; for 20h; Schlenk technique;	85%
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 12h;	80%

: 626-55-1
3-Bromopyridine

: 871-91-0
oct-7-yn-1-ol

: dichlorobis(triphenylphosphine)palladium[II]

: 107071-80-7
8-(3-pyridinyl)-7-octyn-1-ol

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; copper(I) iodide; triethylamine In dichloromethane; water; argon	91%

...Expand

: 871-91-0
oct-7-yn-1-ol

: 41206-19-3
1-nonynyl bromide

: heptadeca-7,9-diyn-1-ol

Conditions

Conditions	Yield
Stage #1: oct-7-yn-1-ol With hydroxylamine hydrochloride; ethylamine; copper(l) chloride In methanol; water at 0℃; Inert atmosphere; Stage #2: 1-nonynyl bromide In methanol; water at 0 - 20℃; Inert atmosphere;	91%

: 871-91-0
oct-7-yn-1-ol

: 154533-69-4
8-Azido-oct-1-yne

Conditions

Conditions	Yield
With tris-(2-chloro-ethyl)-amine; triphenylphosphine; diethylazodicarboxylate In benzene at 0 - 20℃; for 4h;	90%

: 871-91-0
oct-7-yn-1-ol

: 98-59-9
p-toluenesulfonyl chloride

: 219982-82-8
7-octynyl tosylate

Conditions

Conditions	Yield
With dmap; triethylamine Inert atmosphere;	89%
With pyridine at 20℃;	81%
With pyridine at -10 - 20℃; for 2h; Tosylation;	77%

: 367-21-5
3-chloro-4-fluorophenylamine

: 871-91-0
oct-7-yn-1-ol

: 459-57-4
4-fluorobenzaldehyde

: 6-[7-chloro-6-fluoro-2-(4-fluorophenyl)quinolin-4-yl]hexan-1-ol

Conditions

Conditions	Yield
With Montmorillonite KSF clay; copper(I) bromide for 0.0833333h; microwave irradiation;	89%

...Expand

: 871-91-0
oct-7-yn-1-ol

: 199169-51-2
10-bromo-8-decynoic acid methyl ester

: 262603-16-7
methyl 18-hydroxyoctadeca-8,11-diynoate

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 20℃; for 8h; cross-coupling;	87%

: 871-91-0
oct-7-yn-1-ol

: 60754-50-9
8-iodo-1-octyne

Conditions

Conditions	Yield
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 22℃; for 1.08333h;	85.1%
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere 2: sodium iodide / acetone / 60 °C View Scheme

: 696-62-8
para-iodoanisole

: 871-91-0
oct-7-yn-1-ol

: C15H20O2

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 2.5h;	81%

7-Octyn-1-ol Specification

The 7-Octyn-1-ol with CAS registry number of 871-91-0 is also known as Octane-7-yne-1-ol. The IUPAC name is oct-7-yn-1-ol. In addition, the formula is C₈H₁₄O and the molecular weight is 126.2. This chemical is flammable. During using it, keep away from sources of ignition.

Physical properties about 7-Octyn-1-ol are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.55; (5)ACD/BCF (pH 7.4): 10.55; (6)ACD/KOC (pH 5.5): 187.92; (7)ACD/KOC (pH 7.4): 187.92; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.454; (13)Molar Refractivity: 38.47 cm³; (14)Molar Volume: 141.8 cm³; (15)Polarizability: 15.25x10^-24cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 0.889 g/cm³; (18)Flash Point: 116.3 °C; (19)Enthalpy of Vaporization: 49.77 kJ/mol; (20)Boiling Point: 191.5 °C at 760 mmHg; (21)Vapour Pressure: 0.138 mmHg at 25 °C.

Preparation of 7-Octyn-1-ol: it is prepared by reaction of oct-3-yn-1-ol. This reaction needs reagents 1,3-diaminopropane, NaH at 80 °C for 2 hours.

7-Octyn-1-ol can be prepared by oct-3-yn-1-ol.

Uses of 7-Octyn-1-ol: it can be used to produce oct-7-ynoic acid. This reaction occurs with reagent Jones reagent and solvent acetone at ambient temperature for 30 minutes. The yield is about 57%.

7-Octyn-1-ol can be used to produce oct-7-ynoic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: C#CCCCCCCO
(2)InChI: InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
(3)InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
(5)Std. InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYSA-N

Product Name

7-Octyn-1-ol

Synthetic route

7-Octyn-1-ol Specification

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