1-(4-Butoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Butoxyphenyl)ethanone
• CAS No.: 5736-89-0
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 29145090
• European Community (EC) Number: 227-248-4
• NSC Number: 91024
• UNII: U29JG7P7SZ
• DSSTox Substance ID: DTXSID0063993
• Nikkaji Number: J31.088C
• Wikidata: Q81991154
• Mol file: 5736-89-0.mol

Synonyms:1-(4-Butoxyphenyl)ethanone;5736-89-0;4'-Butoxyacetophenone;Ethanone, 1-(4-butoxyphenyl)-;4-Butoxyacetophenone;1-(4-Butoxyphenyl)ethan-1-one;p-Butoxyacetophenone;4-n-Butoxyacetophenone;Acetophenone, 4'-butoxy-;U29JG7P7SZ;EINECS 227-248-4;NSC-91024;4'-n-Butoxyacetophenone;p-Butoxyacetophenon;4'-(N-BUTOXY)ACETOPHENONE;NSC91024;p-n butoxyacetophenone;4-(n-Butoxy)acetophenone;UNII-U29JG7P7SZ;4'-Butoxyacetophenone, 97%;1-(4-Butoxyphenyl)ethanone #;SCHEMBL1092185;DTXSID0063993;1-(4-butoxyphenyl)-1-ethanone;BBL013630;MFCD00027200;NSC 91024;STK408837;AKOS000182489;AS-58760;B1501;CS-0152087;FT-0617930;EN300-85840;D88818;Z96102749

Chemical Property of 1-(4-Butoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000888mmHg at 25°C
• Melting Point: 25-27 °C
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 304.2 °C at 760 mmHg
• Flash Point: 129.5 °C
• PSA: 26.30000
• Density: 0.988 g/cm³
• LogP: 3.06810
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: very faint turbidity in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-Butoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)C
• Uses: 1-(4-butoxyphenyl)ethanone is a useful research chemical. 4′-Butoxyacetophenone (4-Butoxyacetophenone) may be used to synthesize:3,5-di-(4-butoxyphenyl)-1H-pyrazole(E)-1-(4-butoxyphenyl)-3-phenylprop-2-en-1-one5-aryl-6H-1,3,4-thiadiazine

Technology Process of 1-(4-Butoxyphenyl)ethanone

There total 29 articles about 1-(4-Butoxyphenyl)ethanone 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: 92.0%

para-chloroacetophenone (99-91-2) + butan-1-ol (71-36-3) → 1-(4-butoxyphenyl)ethan-1-one (5736-89-0)

Guidance literature:

With (4,4′-di-tert-butyl-2,2′-dipyridyl)Ni(o-tolyl)(Br); 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 80 ℃; for 12h; Solvent; Reagent/catalyst; Catalytic behavior; Inert atmosphere; Sealed tube; UV-irradiation;

DOI:10.1002/anie.202003359

Reference yield: 82.0%

1-butoxy-4-ethynylbenzene (79887-15-3) → 1-(4-butoxyphenyl)ethan-1-one (5736-89-0)

Guidance literature:

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water; at 45 ℃; for 55h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol403684a

Reference yield: 73.0%

1-bromo-butane (109-65-9) + 4-Hydroxyacetophenone (99-93-4) → 1-(4-butoxyphenyl)ethan-1-one (5736-89-0)

Guidance literature:

With zinc; In N,N-dimethyl-formamide; for 0.0541667h; microwave irradiation;

DOI:10.1016/j.tetlet.2004.10.009

upstream raw materials:

n-butyl phenyl ether

acetic anhydride

acetyl chloride

1-bromo-butane

Downstream raw materials:

(E)-1-(4-butoxyphenyl)-3-(2,4-dimethoxy-6-((E)-4-methoxystyryl)phenyl)prop-2-en-1-one

2-(1-(4-butoxyphenyl)ethylidene)hydrazine-1-carbothioamide

3-(4-butoxyphenyl)-3-oxopropanal O-ethyl oxime

3-(4-butoxyphenyl)-3-oxopropanal O-methyl oxime

Refernces

• 1、 Liu, Shuai,Liu, Zhong-Quan,Shen, Tong,Shen, Xu,Wang, Nengyong,Wu, Jintao,Yang, Le,Zhao, Jianyou. "Electrochemical Aerobic Oxidative Cleavage of (sp3)C-C(sp3)/H Bonds in Alkylarenes". . p. 3286 - 3295. Retrieved 2022/03/14.
• 2、 An, Juzeng,Gu, Yiting,Martin, Ruben,Wakeling, Matthew,Yin, Hongfei. "Defunctionalization of sp3 C–Heteroatom and sp3 C–C Bonds Enabled by Photoexcited Triplet Ketone Catalysts". . p. 1031 - 1036. Retrieved 2022/01/19.