1-(4-Cyclopropylphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Cyclopropylphenyl)ethanone
• CAS No.: 6921-45-5
• Molecular Formula: C11H12 O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• European Community (EC) Number: 874-281-0
• NSC Number: 98349
• DSSTox Substance ID: DTXSID90294835
• Nikkaji Number: J1.327.869E
• Wikidata: Q82034388
• Mol file: 6921-45-5.mol

Synonyms:1-(4-cyclopropylphenyl)ethanone;6921-45-5;1-(4-cyclopropylphenyl)ethan-1-one;Ethanone, 1-(4-cyclopropylphenyl)- (9CI);NSC98349;Ethanone, 1-(4-cyclopropylphenyl)-;p-cyclopropylacetophenone;4'-Cyclopropylacetophenone;Cambridge id 5135725;NCIOpen2_001764;SCHEMBL3222423;DTXSID90294835;1-(4-Cyclopropyl-phenyl)-ethanone;MFCD00102381;NSC 98349;NSC-98349;AKOS004118882;DS-6182;BB 0223489;CS-0040765;FT-0743113;EN300-233971;F10333;A836398;A1-09759;J-503291

Chemical Property of 1-(4-Cyclopropylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00641mmHg at 25°C
• Melting Point: 35-36 °C(Solv: ethanol (64-17-5))
• Boiling Point: 271.6°C at 760 mmHg
• Flash Point: 112.3°C
• PSA: 17.07000
• Density: 1.075g/cm³
• LogP: 2.76660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Cyclopropylphenyl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)C2CC2

Technology Process of 1-(4-Cyclopropylphenyl)ethanone

There total 21 articles about 1-(4-Cyclopropylphenyl)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: 99.0%

2-cyclopropyl-[1,3,6,2]dioxazaborocane + para-bromoacetophenone (99-90-1) → 1-(4-cyclopropylphenyl)ethanone (6921-45-5)

Guidance literature:

2-cyclopropyl-[1,3,6,2]dioxazaborocane; With hydrogenchloride; water; sodium chloride;

para-bromoacetophenone; With potassium phosphate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triphenylphosphine; In MeTHF; water; toluene; at 100 ℃; for 3h; Product distribution / selectivity; Inert atmosphere;

Reference yield: 95.0%

para-bromoacetophenone (99-90-1) + cyclopropylboronic acid (411235-57-9) → 1-(4-cyclopropylphenyl)ethanone (6921-45-5)

Guidance literature:

With potassium phosphate tribasic heptahydrate; C₄₅H₅₃ClFeNO₂PPd; In water; toluene; at 100 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2011.11.024

Reference yield: 92.0%

para-bromoacetophenone (99-90-1) + tri(cyclopropyl)indium (23719-81-5) → 1-(4-cyclopropylphenyl)ethanone (6921-45-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; for 3.5h; Heating;

DOI:10.1021/ja004195m

upstream raw materials:

cyclopropylbenzene

acetyl chloride

4-acetophenyl triflate

tri(cyclopropyl)indium

Downstream raw materials:

4-cyclopropylbenzoic acid

p-cyclopropyl-α-methylstyrene

α-(p-Cyclopropylphenyl)aethanol

N-(4-cyclopropylphenyl)acetamide