Cas no 79887-14-2 (4-Ethoxyphenylacetylene)

4-Ethoxyphenylacetylene structure
4-Ethoxyphenylacetylene structure
Product Name:4-Ethoxyphenylacetylene
CAS No:79887-14-2
MF:C10H10O
MW:146.185802936554
MDL:MFCD00173880
CID:60148
PubChem ID:2775124
Update Time:2024-10-27

4-Ethoxyphenylacetylene Chemical and Physical Properties

Names and Identifiers

    • 1-Ethoxy-4-eth-1-ynylbenzene
    • 4-Ethoxyphenylacetylene
    • 1-Ethoxy-4-ethynylbenzene
    • p-Ethoxyethynylbenzene
    • 1-ETHYNYL-4-ETHOXYBENZENE
    • 4-ETHOXY-1-ETHYNYL-BENZENE
    • 4-Ethoxyethynylbenzene
    • 4-ethoxylphenylacetylene
    • 4'-ETHOXYPHENYL ACETYLENE
    • Benzene,1-ethoxy-4-ethynyl
    • 1-ethoxy-4-ethynyl-benzene
    • 4-Ethynylphenetole
    • Benzene, 1-ethoxy-4-ethynyl-
    • 4'-Ethoxyphenylacetylene
    • KSC493G5N
    • FRGNOZUOTHMJSC-UHFFFAOYSA-N
    • 4-ethoxyphenylacetylene, AldrichCPR
    • SBB064838
    • 1-Ethoxy-4-ethynylbenzene (ACI)
    • (4-Ethoxyphenyl)acetylene
    • (4-Ethyloxyphenyl)acetylene
    • (p-Ethoxyphenyl)acetylene
    • 4-Ethynylethoxybenzene
    • MDL： MFCD00173880
    • Inchi： 1S/C10H10O/c1-3-9-5-7-10(8-6-9)11-4-2/h1,5-8H,4H2,2H3
    • InChI Key： FRGNOZUOTHMJSC-UHFFFAOYSA-N
    • SMILES： C#CC1C=CC(OCC)=CC=1

Computed Properties

  • Exact Mass: 146.07300
  • Monoisotopic Mass: 146.073
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 146
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.7
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Color/Form: Colorless or yellow liquid.
  • Density: 0.99
  • Boiling Point: 214.8℃ at 760 mmHg
  • Flash Point: 76.2°C
  • Refractive Index: 1.5520 to 1.5560
  • PSA: 9.23000
  • LogP: 2.06660
  • Solubility: It is almost insoluble in water and miscible with acetone and ethanol.

4-Ethoxyphenylacetylene Security Information

  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H227
  • Warning Statement： P210-P280-P370+P378-P403+P235-P501
  • WGK Germany：3
  • Hazard Category Code： 22
  • Safety Instruction： S22; S24/25
  • RTECS：AM9625000
  • Hazardous Material Identification： Xn
  • Storage Condition：0-10°C
  • Risk Phrases：R22

4-Ethoxyphenylacetylene Customs Data

  • HS CODE：29147090
  • Customs Data：

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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4-Ethoxyphenylacetylene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium acetate Solvents: Methanol ,  Tetrahydrofuran ;  1.5 h, rt
Reference
Synthesis of diphenyl-diacetylene-based nematic liquid crystals and their high birefringence properties
Arakawa, Yuki; et al, Journal of Materials Chemistry, 2012, 22(17), 8394-8398

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane ,  Water ;  60 °C; 5 h, 60 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, < 50 °C
2.1 Reagents: Potassium hydroxide Solvents: Isopropanol ;  1 h, rt; 7 h, reflux
2.2 Solvents: Isopropanol ;  1 h, reflux; reflux → rt
2.3 Solvents: Water ;  2 h, rt
2.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Preparation and properties of high birefringence phenylacetylene isothiocyanato-based blend liquid crystals
Zhao, Yang; et al, Molecular Crystals and Liquid Crystals, 2022, 744(1), 1-10

Production Method 3

Reaction Conditions
1.1 Reagents: Bromine Solvents: Dichloromethane ;  < 20 °C; 4 h, < 20 °C
2.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane ,  Water ;  60 °C; 5 h, 60 °C
2.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, < 50 °C
3.1 Reagents: Potassium hydroxide Solvents: Isopropanol ;  1 h, rt; 7 h, reflux
3.2 Solvents: Isopropanol ;  1 h, reflux; reflux → rt
3.3 Solvents: Water ;  2 h, rt
3.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Preparation and properties of high birefringence phenylacetylene isothiocyanato-based blend liquid crystals
Zhao, Yang; et al, Molecular Crystals and Liquid Crystals, 2022, 744(1), 1-10

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetonitrile ;  12 h, reflux
2.1 Reagents: Diisopropylethylamine Catalysts: Cuprous iodide ,  Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  20 h, 45 °C
3.1 Reagents: Sodium acetate Solvents: Methanol ,  Tetrahydrofuran ;  1.5 h, rt
Reference
Synthesis of diphenyl-diacetylene-based nematic liquid crystals and their high birefringence properties
Arakawa, Yuki; et al, Journal of Materials Chemistry, 2012, 22(17), 8394-8398

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Potassium iodide Solvents: Dimethylformamide
1.2 Solvents: Water
2.1 Reagents: Cuprous iodide Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Piperidine
2.2 Solvents: Diethyl ether ,  Water
3.1 Reagents: Sodium hydroxide Solvents: Methanol
3.2 Solvents: Water
Reference
Synthesis of Unsymmetrical 1,4-Diarylbutadiynes by Stille Coupling
Godt, Adelheid, Journal of Organic Chemistry, 1997, 62(21), 7471-7474

Production Method 6

Reaction Conditions
1.1 Reagents: Water ,  Oxygen Catalysts: Potassium trimethylsilanolate Solvents: Dimethyl sulfoxide ;  6 h, 70 °C
Reference
An Additive-Free, Base-Catalyzed Protodesilylation of Organosilanes
Yao, Wubing; et al, Journal of Organic Chemistry, 2018, 83(4), 2250-2255

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol
1.2 Solvents: Water
Reference
Synthesis of Unsymmetrical 1,4-Diarylbutadiynes by Stille Coupling
Godt, Adelheid, Journal of Organic Chemistry, 1997, 62(21), 7471-7474

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Isopropanol ;  1 h, rt; 7 h, reflux
1.2 Solvents: Isopropanol ;  1 h, reflux; reflux → rt
1.3 Solvents: Water ;  2 h, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Preparation and properties of high birefringence phenylacetylene isothiocyanato-based blend liquid crystals
Zhao, Yang; et al, Molecular Crystals and Liquid Crystals, 2022, 744(1), 1-10

Production Method 9

Reaction Conditions
1.1 Reagents: Tetrakis(acetonitrile)copper(1+) tetrafluoroborate Solvents: Chloroform ;  18 h, rt
Reference
Unusual design strategy for a stable and soluble high-molecular-weight copper(I) arylacetylide polymer
Jiang, Li; et al, Chemical Communications (Cambridge, 2021, 57(90), 12004-12007

Production Method 10

Reaction Conditions
1.1 Reagents: Potassium hydroxide ,  Manganese oxide (MnO2) Solvents: Diethyl ether
Reference
Synthesis of Unsymmetrical 1,4-Diarylbutadiynes by Stille Coupling
Godt, Adelheid, Journal of Organic Chemistry, 1997, 62(21), 7471-7474

Production Method 11

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Catalysts: Cuprous iodide ,  Tetrakis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ;  20 h, 45 °C
2.1 Reagents: Sodium acetate Solvents: Methanol ,  Tetrahydrofuran ;  1.5 h, rt
Reference
Synthesis of diphenyl-diacetylene-based nematic liquid crystals and their high birefringence properties
Arakawa, Yuki; et al, Journal of Materials Chemistry, 2012, 22(17), 8394-8398

Production Method 12

Reaction Conditions
1.1 Reagents: Cuprous iodide Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Piperidine
1.2 Solvents: Diethyl ether ,  Water
2.1 Reagents: Sodium hydroxide Solvents: Methanol
2.2 Solvents: Water
Reference
Synthesis of Unsymmetrical 1,4-Diarylbutadiynes by Stille Coupling
Godt, Adelheid, Journal of Organic Chemistry, 1997, 62(21), 7471-7474

Production Method 13

Reaction Conditions
1.1 Reagents: Cuprous iodide Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran ,  Piperidine
1.2 Solvents: Water
2.1 Reagents: Potassium hydroxide ,  Manganese oxide (MnO2) Solvents: Diethyl ether
Reference
Synthesis of Unsymmetrical 1,4-Diarylbutadiynes by Stille Coupling
Godt, Adelheid, Journal of Organic Chemistry, 1997, 62(21), 7471-7474

Production Method 14

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Ethanol ,  Water ;  rt → 50 °C
1.2 50 °C; 7 h, 60 - 70 °C
2.1 Reagents: Bromine Solvents: Dichloromethane ;  < 20 °C; 4 h, < 20 °C
3.1 Reagents: Sodium hydroxide Solvents: 1,4-Dioxane ,  Water ;  60 °C; 5 h, 60 °C
3.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, < 50 °C
4.1 Reagents: Potassium hydroxide Solvents: Isopropanol ;  1 h, rt; 7 h, reflux
4.2 Solvents: Isopropanol ;  1 h, reflux; reflux → rt
4.3 Solvents: Water ;  2 h, rt
4.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Preparation and properties of high birefringence phenylacetylene isothiocyanato-based blend liquid crystals
Zhao, Yang; et al, Molecular Crystals and Liquid Crystals, 2022, 744(1), 1-10

4-Ethoxyphenylacetylene Raw materials

4-Ethoxyphenylacetylene Preparation Products

4-Ethoxyphenylacetylene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:79887-14-2)4-Ethoxyphenylacetylene
Order Number:A1203938
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:51
Price ($):232.0

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Amadis Chemical Company Limited
(CAS:79887-14-2)4-Ethoxyphenylacetylene
A1203938
Purity:99%
Quantity:100g
Price ($):232.0
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