1-Ethyl-4-methoxybenzene

Base Information

• Chemical Name: 1-Ethyl-4-methoxybenzene
• CAS No.: 1515-95-3
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 29093090
• European Community (EC) Number: 604-805-3
• NSC Number: 5294
• UNII: I71P5QG20S
• DSSTox Substance ID: DTXSID80164795
• Nikkaji Number: J11.023J
• Wikidata: Q27280522
• Mol file: 1515-95-3.mol

Synonyms:4-Ethylanisole;1-Ethyl-4-methoxybenzene;1515-95-3;p-Ethylanisole;BENZENE, 1-ETHYL-4-METHOXY-;Anisole, p-ethyl-;p-Ethylanisol;4-Ethyl anisole;UNII-I71P5QG20S;I71P5QG20S;NSC-5294;MFCD00015176;4-Ethylmethoxybenzene;4-ethyl-1-methoxybenzene;4-ethyl-anisole;NSC5294;1-methoxy-4-ethylbenzene;4-Methoxy-1-ethylbenzene;Bis-Boc-aminooxyaceticacid;1-ethyl-4-methoxy-benzene;1-methoxy-4-ethyl-benzene;P-ETHYLMETHOXYBENZENE;P-METHOXYETHYLBENZENE;SCHEMBL30878;Benzene,1-ethyl-4-methoxy-;SCHEMBL8951726;SCHEMBL12015213;DTXSID80164795;METHYL P-ETHYLPHENYL ETHER;NSC 5294;AKOS008948205;CS-W011060;SY048267;E0436;FT-0618398;F14894;EN300-1250810;J-008822;Q27280522

Chemical Property of 1-Ethyl-4-methoxybenzene

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 0.586mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 195.5 °C at 760 mmHg
• Flash Point: 68.5 °C
• PSA: 9.23000
• Density: 0.931 g/cm³
• LogP: 2.25760
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in alcohol. Insoluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

98% ^*data from raw suppliers

4-Methoxy-1-ethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)OC
• Uses: It can be used the synthesis of 1-Methoxy-4-ethyl-1,4-cyclohexadiene. It is also applied in the ligand-assisted, copper-catalyzed enantioselective benzylic amination.

Technology Process of 1-Ethyl-4-methoxybenzene

There total 130 articles about 1-Ethyl-4-methoxybenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

4-methoxyphenylacetylen (768-60-5) → 4-Methoxystyrene (637-69-4,24936-44-5) + p-ethylanisole (1515-95-3)

Guidance literature:

With hydrogen; In hexane; at 50 ℃; for 10h; under 760.051 Torr;

DOI:10.1002/anie.201207845

Reference yield: 83.0%

1-(4-methoxyphenyl)ethanone (100-06-1) → rac-1-(4-methoxyphenyl)-ethanol (3319-15-1) + p-ethylanisole (1515-95-3)

Guidance literature:

1-(4-methoxyphenyl)ethanone; With iron(III) chloride; In methanol; at 20 ℃; for 0.05h;

In methanol; at 20 ℃; for 0.166667h; Reagent/catalyst; Temperature; chemoselective reaction;

DOI:10.1021/acs.joc.8b01667

Reference yield: 50.0%

1-Tosyl-1-<2-(4-methoxyphenyl)ethyl>hydrazine (141666-87-7) → 2-(4-Methoxyphenyl)ethanol (702-23-8) + p-ethylanisole (1515-95-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; Heating;

DOI:10.1016/S0040-4039(00)60796-7

upstream raw materials:

4-Methoxystyrene

4-Ethylphenol

1-[2-chloroethenyl]-4-methoxybenzene

1-(1'-ethoxyvinyl)-4-methoxybenzene

Downstream raw materials:

4-(5-ethyl-2-methoxy-phenyl)-4-oxo-butyric acid

meso-2,3-bis(4-methoxyphenyl)butane

1-(p-methoxyphenyl)ethyl acetate

3,5-Dibrom-4-ethylanisol

Refernces

• 1、 Yang, Shuliang,Peng, Li,Cao, Changyan,Wei, Fang,Liu, Jian,Zhu, Ya-Nan,Liu, Chang,Wang, Xiaoshi,Song, Weiguo. "Preparation of Magnetic Tubular Nanoreactors for Highly Efficient Catalysis". . p. 2797 - 2801. Retrieved 2016.
• 2、 Komuro, Takashi,Arai, Takafumi,Kikuchi, Kei,Tobita, Hiromi. "Synthesis of Ruthenium Complexes with a Nonspectator Si,O,P-Chelate Ligand: Interconversion between a Hydrido(η2-silane) Complex and a Silyl Complex Leading to Catalytic Alkene Hydrogenation". . p. 1211 - 1217. Retrieved 2015.
• 3、 Romanenko, Iuliia,Gajan, David,Sayah, Reine,Crozet, Delphine,Jeanneau, Erwan,Lucas, Christine,Leroux, Lénaic,Veyre, Laurent,Lesage, Anne,Emsley, Lyndon,Lac?te, Emmanuel,Thieuleux, Chloé. "Iridium(I)/N-Heterocyclic Carbene Hybrid Materials: Surface Stabilization of Low-Valent Iridium Species for High Catalytic Hydrogenation Performance". . p. 12937 - 12941. Retrieved 2015.
• 4、 Kaleeswari, Kalairajan,Tamil Selvi, Arunachalam. "Selective hydrogenation of substituted styrene to alkylbenzene catalyzed by Al2O3 nanoparticles". . . Retrieved 2022/01/22.
• 5、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Manna, Kuntal. "Metal-Organic Framework-Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and Alcohols". supporting information. p. 9029 - 9039. Retrieved 2021/06/28.