Ethanone, 1-(4-butylphenyl)-

Base Information

• Chemical Name: Ethanone, 1-(4-butylphenyl)-
• CAS No.: 37920-25-5
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• Hs Code.: 29143990
• European Community (EC) Number: 253-715-7
• UNII: 6738CF9Z8V
• DSSTox Substance ID: DTXSID2068056
• Nikkaji Number: J30.879J
• Wikidata: Q27264064
• Mol file: 37920-25-5.mol

Synonyms:37920-25-5;4'-Butylacetophenone;1-(4-Butylphenyl)ethanone;Ethanone, 1-(4-butylphenyl)-;1-(4-Butylphenyl)ethan-1-one;p-Butylacetophenone;p-n-Butylacetophenone;4'-n-Butylacetophenone;4-n-butylacetophenone;1-(4-butyl-phenyl)-ethanone;UNII-6738CF9Z8V;6738CF9Z8V;EINECS 253-715-7;MFCD00017500;1-(4-Butyl-Phenyl)Ethanone;4-butylacetophenone;4`-Butylacetophenone;1-(4-butylphenyl)-ethanone;4'-(But-1-yl)acetophenone;4'-Butylacetophenone, 95%;SCHEMBL967078;1-(4-Butylphenyl)ethanone #;1-(4-butylphenyl)-1-ethanone;DTXSID2068056;ACETOPHENONE, 4'-BUTYL-;BBL037632;STK502522;AKOS000200238;CS-W017402;PS-8580;AC-18360;SY016938;B1000;FT-0619162;4 inverted exclamation mark -Butylacetophenone;EN300-10681;A824855;A873987;W-106505;Q27264064

Chemical Property of Ethanone, 1-(4-butylphenyl)-

Chemical Property:

• Vapor Pressure: 0.00522mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 275 °C at 760 mmHg
• Flash Point: 111.9 °C
• PSA: 17.07000
• Density: 0.943 g/cm³
• LogP: 3.23180
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• Water Solubility.: Not miscible in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

4''-Butylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)C
• Uses: Intermediates of Liquid Crystals 4'-n-Butylacetophenone is used as an organic chemical synthesis intermediate.

Technology Process of Ethanone, 1-(4-butylphenyl)-

There total 64 articles about Ethanone, 1-(4-butylphenyl)- 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: 97.0%

1-butylbenzene (104-51-8) + acetyl chloride (75-36-5) → 1-(4-butylphenyl)ethanone (37920-25-5)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 2.25h;

DOI:10.1021/ma501283b

Reference yield: 96.0%

butylboronic acid (4426-47-5) + 4-chlorobenzophenone (134-85-0) → 1-(4-butylphenyl)ethanone (37920-25-5)

Guidance literature:

With potassium phosphate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In toluene; at 100 ℃; for 24h;

DOI:10.1021/ol070898y

Reference yield: 95.0%

n-butyllithium (109-72-8,29786-93-4) + 4,5-dimethyl-2-phenyl-1,3,2-dioxaborolane (6638-68-2) + 4-acetylphenyl mesylate (69497-83-2) → biphenyl-4-acetaldehyde (92-91-1) + 1-(4-butylphenyl)ethanone (37920-25-5)

Guidance literature:

n-butyllithium; 4,5-dimethyl-2-phenyl-1,3,2-dioxaborolane; With bis(triphenylphosphine)nickel(II) chloride; In tetrahydrofuran; at 20 ℃; for 0.25h;

4-acetylphenyl mesylate; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/S0022-328X(02)01174-9

upstream raw materials:

1,4-dibutyl-benzene

1-butylbenzene

acetic anhydride

acetyl chloride

Downstream raw materials:

2-amino-4-[(4-n-butyl)phenyl]thiazole

1-(4-acetyl-phenyl)-butan-1-one

C₁₈H₂₅N₃O₂

4-(4-butylphenyl)-1H-imidazol-2-amine hydrochloride

Refernces

• 1、 Wong, Shun Man,Choy, Pui Ying,Zhao, Qingyang,Yuen, On Ying,Yeung, Chung Chiu,So, Chau Ming,Kwong, Fuk Yee. "Design of Benzimidazolyl Phosphines Bearing AlterableP,OorP,N-Coordination: Synthesis, Characterization, and Insights into Their Reactivity". supporting information. p. 2265 - 2271. Retrieved 2021/05/05.
• 2、 Hosoya, Takamitsu,Miyamoto, Yusuke,Ohmiya, Hirohisa,Sato, Yukiya,Sumida, Yuto. "Boracene-based alkylborate enabled Ni/Ir hybrid catalysis". supporting information. p. 6598 - 6601. Retrieved 2020/10/02.