4'-Ethoxyacetophenone

Base Information

• Chemical Name: 4'-Ethoxyacetophenone
• CAS No.: 1676-63-7
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29145090
• European Community (EC) Number: 216-825-6
• NSC Number: 406258,403850
• UNII: EWR02SWC14
• DSSTox Substance ID: DTXSID5061873
• Nikkaji Number: J93.676F
• Wikidata: Q27277399
• Mol file: 1676-63-7.mol

Synonyms:4'-Ethoxyacetophenone;1676-63-7;1-(4-Ethoxyphenyl)ethanone;p-Ethoxyacetophenone;Ethanone, 1-(4-ethoxyphenyl)-;4-Ethoxyacetophenone;1-(4-Ethoxyphenyl)ethan-1-one;Acetophenone, 4'-ethoxy-;4'-Ethoxy acetophenone;Acetophenone, p-ethoxy-;MFCD00009095;UNII-EWR02SWC14;NSC 403850;EWR02SWC14;EINECS 216-825-6;NSC 406258;NSC-403850;NSC-406258;AI3-01029;4-Acetylphenetole;4\'-Ethoxyacetophenone;p-ETHOXY ACETOPHENONE;4'-Ethoxyacetophenone, 98%;SCHEMBL166144;DTXSID5061873;CK1149;NSC403850;NSC406258;STL163384;AKOS000120844;AM10786;CS-W013245;FS-1543;SY011487;E0458;FT-0618378;EN300-16105;4 inverted exclamation mark -Ethoxyacetophenone;A810888;W-107908;4'-Ethoxyacetophenone, Vetec(TM) reagent grade, 98%;Q27277399;Z53832961;F0001-0614

Chemical Property of 4'-Ethoxyacetophenone

Chemical Property:

• Appearance/Colour: white to yellow crystals and chunks
• Melting Point: 37-39 °C(lit.)
• Refractive Index: 1.5180 (estimate)
• Boiling Point: 272.3 °C at 760 mmHg
• Flash Point: 118.8 °C
• PSA: 26.30000
• Density: 1.016 g/cm³
• LogP: 2.28790
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in alcohol, water(791.1 mg/L).
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

4'-Ethoxyacetophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; T
• Hazard Codes: Xi,T
• Statements: 36/37/38-26-22
• Safety Statements: 26-37/39-45-36/37-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)C
• Uses: 4'-Ethoxyacetophenone is used to produce 4-(4-ethoxy-phenyl)-thiazol-2-ylamine.

Technology Process of 4'-Ethoxyacetophenone

There total 37 articles about 4'-Ethoxyacetophenone 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: 95.0%

acetyl chloride (75-36-5) + Phenetole (103-73-1) → 4'-ethoxyacetophenone (1676-63-7)

Guidance literature:

antimonypentachloride; N-benzyl-N,N,N-triethylammonium chloride; In nitromethane; for 0.333333h; Heating;

DOI:10.1002/adsc.200303233

Reference yield: 95.0%

1-(4-ethoxyphenyl)ethyl alcohol (116071-56-8,52067-36-4,225920-04-7) → 4'-ethoxyacetophenone (1676-63-7)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; iron(III) chloride; In water; ethyl acetate; at 20 ℃; for 5h;

DOI:10.1139/V08-059

Reference yield: 95.0%

ethanol (64-17-5) + para-bromoacetophenone (99-90-1) → 4'-ethoxyacetophenone (1676-63-7)

Guidance literature:

With Quinuclidine; 12C₁₂H₅F₅N^(1-)*6C₂₄H₁₄N₂O₄^(2-)*12Hf⁽⁴⁺⁾*8O^(2-)*14HO^(1-)*6Ir⁽²⁺⁾*6C₁₃H₁₁N₂O₂^(1-)*6Ni⁽²⁺⁾*12Cl^(1-); In acetonitrile; at 20 ℃; for 48h; Catalytic behavior; Irradiation; Inert atmosphere;

DOI:10.1021/jacs.9b08956

upstream raw materials:

1-methyl-4-nitrosobenzene

(4-ethoxy-phenacylmercapto)-acetic acid

malonic acid

acetic anhydride

Downstream raw materials:

(E)-1-(4-Ethoxy-phenyl)-3-hydroxy-propenone

4,4,4-trifluoro-1-(4-ethoxyphenyl)-1,3-butanedione

3-(4-methoxyphenyl)-1-(4-ethoxyphenyl)propan-1,3-dione

2,3-dibromo-3-(4-methoxyphenyl)-1-(4-ethoxyphenyl)-propan-1-one

Refernces

• 1、 Yang, Yu-Ming,Yan, Wei,Hu, Han-Wei,Luo, Yimin,Tang, Zhen-Yu,Luo, Zhuangzhu. "Photoinduced Acetylation of Anilines under Aqueous and Catalyst-Free Conditions". . p. 12344 - 12353. Retrieved 2021/09/02.
• 2、 Shibasaki, Kaho,Togo, Hideo. "Facile preparation of 5-alkyl-1-aryltetrazoles with arenes, acyl chlorides, hydroxylamine, and diphenylphosphoryl azide". . p. 1816 - 1830. Retrieved 2020/11/19.