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CAS No.: | 10401-11-3 | ||||||||||
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Name: | 3-Hydroxyphenylacetylene | ||||||||||
Article Data: | 11 | ||||||||||
Molecular Structure: | |||||||||||
Formula: | C8H6 O | ||||||||||
Molecular Weight: | 118.135 | ||||||||||
Synonyms: | Phenol,m-ethynyl- (7CI,8CI); 3-Ethynylphenol; 3-Hydroxy-1-ethynylbenzene;3-Hydroxyphenylacetylene; m-Ethynylphenol; m-Hydroxyethynylbenzene | ||||||||||
Density: | 1.12g/cm3 | ||||||||||
Melting Point: | 64-66 °C | ||||||||||
Boiling Point: | 230.9°Cat760mmHg | ||||||||||
Flash Point: | 106.1°C | ||||||||||
Appearance: | Clear yellow liquid | ||||||||||
Hazard Symbols: | |||||||||||
Risk Codes: | 22-41-52/53 | ||||||||||
Safety: |
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PSA: | 20.23000 | ||||||||||
LogP: | 1.37350 |
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; | 95% |
3-[2-(trimethylsilylethynyl)]phenol
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
With methanol; potassium hydroxide In tetrahydrofuran at 20℃; for 10h; Inert atmosphere; | 88% |
Stage #1: 3-[2-(trimethylsilylethynyl)]phenol With potassium hydroxide In tetrahydrofuran; methanol; water for 2h; Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water | 70% |
With potassium carbonate In methanol at 20℃; for 3h; Inert atmosphere; |
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
at 800℃; under 0.000750075 Torr; | 87% |
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
With potassium hydroxide In toluene for 3h; Heating; | 43% |
(1S,2R)-3-Trimethylsilanylethynyl-cyclohexa-3,5-diene-1,2-diol
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
With potassium carbonate In methanol for 12h; |
A
2-ethynyl-phenol
B
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
With perchloric acid at 25℃; Rate constant; |
3-Bromophenol
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: bis(triphenylphosphine)palladium(II) dichloride; copper(l) iodide; triethylamine / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere 2: potassium carbonate / methanol / 3 h / 20 °C / Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triphenylphosphine / 1,4-dioxane / 1.33 h / 70 °C / Inert atmosphere; Microwave irradiation 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere View Scheme |
meta-hydroxybenzaldehyde
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: chloroform / 24 h / Cooling with ice; Inert atmosphere; Darkness 2: 800 °C / 0 Torr View Scheme |
3-hydroxy phenylacetylene
Conditions | Yield |
---|---|
With potassium fluoride; 18-crown-6 ether; Methyl thioglycolate In water; acetonitrile at 50℃; |
3-hydroxy phenylacetylene
3-Hydroxyacetophenone
Conditions | Yield |
---|---|
With gold(III) tribromide; water at 200℃; for 0.333333h; microwave irradiation; | 100% |
With tropylium tetrafluoroborate; water; acetic acid at 130℃; for 1h; Catalytic behavior; Temperature; Microwave irradiation; Inert atmosphere; | 92% |
With trifluorormethanesulfonic acid; water In 2,2,2-trifluoroethanol at 25℃; for 24h; Sealed tube; regioselective reaction; | 87% |
With water at 60℃; for 20h; Sealed tube; | 63% |
With methanesulfonic acid; iron(II) chloride tetrahydrate In 1,2-dichloro-ethane at 60℃; for 2h; Inert atmosphere; | 49% |
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Molecular Structure of 3-Ethynylphenol (CAS NO.10401-11-3):
IUPAC Name: 3-Ethynylphenol
Canonical SMILES: C#CC1=CC(=CC=C1)O
InChI: InChI=1S/C8H6O/c1-2-7-4-3-5-8(9)6-7/h1,3-6,9H
InChIKey: AODMJIOEGCBUQL-UHFFFAOYSA-N
Molecular Weight: 118.13264 [g/mol]
Molecular Formula: C8H6O
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Index of Refraction: 1.589
Molar Refractivity: 35.34 cm3
Molar Volume: 104.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.12 g/cm3
Flash Point: 106.1 °C
Enthalpy of Vaporization: 48.65 kJ/mol
Boiling Point: 230.9 °C at 760 mmHg
Vapour Pressure: 0.0424 mmHg at 25 °C
Appearance: Clear yellow liquid
Safety Information of 3-Ethynylphenol (CAS NO.10401-11-3):
Hazard Codes: Xn
Risk Statements: 22-41-52/53
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 2810
WGK Germany: 2
3-Ethynylphenol (CAS NO.10401-11-3), its Synonyms are 3-Hydroxyphenylacetylene ; Phenol, 3-ethynyl- (9CI) ; m-Hydroxyphenylacetylene ; m-Ethynylphenol ; Phenol, 3-ethynyl- .