Cyclopropyl 4-fluorophenyl ketone

Base Information

• Chemical Name: Cyclopropyl 4-fluorophenyl ketone
• CAS No.: 772-31-6
• Molecular Formula: C10H9FO
• Molecular Weight: 164.179
• Hs Code.: 2914700090
• European Community (EC) Number: 212-247-3
• NSC Number: 70847
• UNII: U8PH7N6MPJ
• DSSTox Substance ID: DTXSID50227947
• Nikkaji Number: J193.156C
• Wikidata: Q72460838
• Mol file: 772-31-6.mol

Synonyms:Cyclopropyl 4-fluorophenyl ketone;772-31-6;cyclopropyl(4-fluorophenyl)methanone;cyclopropyl-(4-fluorophenyl)methanone;C10H9FO;Methanone, cyclopropyl(4-fluorophenyl)-;MFCD00013728;U8PH7N6MPJ;cyclopropyl 4-fluorophenylketone;EINECS 212-247-3;Cyclopropyl(4-fluorophenyl)-methanone;NSC-70847;Cyclopropyl4-fluorophenylketone;UNII-U8PH7N6MPJ;SCHEMBL662115;4-fluorophenyl cyclopropyl ketone;Cyclopropyl p-fluorophenyl ketone;DTXSID50227947;cyclopropyl-(4-fluorophenyl)ketone;Cyclopropyl-4-fluorophenylmethanone;NSC70847;cyclopropyl (4-fluorophenyl)methanone;cyclopropyl(4-fluorophenyl) methanone;NSC 70847;AKOS000346342;cyclopropyl (4-fluorophenyl) methanone;cyclopropyl-(4-fluorophenyl) methanone;Cyclopropyl 4-fluorophenyl ketone, 98%;AS-50281;CS-0155404;FT-0624296;EN300-35817;O11714;A839010;Z361989374

Chemical Property of Cyclopropyl 4-fluorophenyl ketone

Chemical Property:

• Appearance/Colour: clear yellow to brownish liquid
• Melting Point: -15 °C
• Refractive Index: n20/D 1.532(lit.)
• Boiling Point: 243.2 °C at 760 mmHg
• Flash Point: 100 °C
• PSA: 17.07000
• Density: 1.22 g/cm³
• LogP: 2.41840
• Water Solubility.: Not miscible with water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.063743068
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Cyclopropyl(4-fluorophenyl)methanone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)F

Technology Process of Cyclopropyl 4-fluorophenyl ketone

There total 9 articles about Cyclopropyl 4-fluorophenyl ketone 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: 100.0%

4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) → cyclopropyl(4-fluorophenyl)methanone (772-31-6)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 5h;

DOI:10.1021/acs.jmedchem.9b00864

Reference yield: 56.0%

4-(4-fluorophenyl)-4-oxo-n-butyl chloride (3874-54-2,41167-07-1) → cyclopropyl(4-fluorophenyl)methanone (772-31-6) + p-methoxyphenyl cyclopropyl ketone (7152-03-6)

Guidance literature:

With potassium hydroxide; In methanol; at 25 ℃;

Reference yield:

cyclopropanecarboxylic acid N-methoxy-N-methylamide (147356-78-3) + 1-Bromo-4-fluorobenzene (460-00-4) → cyclopropyl(4-fluorophenyl)methanone (772-31-6)

Guidance literature:

1-Bromo-4-fluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

cyclopropanecarboxylic acid N-methoxy-N-methylamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1002/anie.202004320

upstream raw materials:

fluorobenzene

4-Chlorobutanoyl chloride

4-(4-fluorophenyl)-4-oxo-n-butyl chloride

cyclopropropanecarbonitrile

Downstream raw materials:

1-cyclopropyl-1-(4-fluorophenyl)-3-(pyridin-2-yl)prop-2-yn-1-ol

4-(3-cyclopropyl-3-(4-fluorophenyl)-3-hydroxyprop-1-ynyl)benzonitrile

1-cyclopropyl-1-(4-fluorophenyl)-3-(4-methoxy-2-methylphenyl)prop-2-yn-1-ol

2-cyclopropyl-2-(4-fluorophenyl)oxirane

Refernces

• 1、 He, Tao,Long, Peng-Wei,Oestreich, Martin. "B(C6F5)3-Catalyzed Hydrosilylation of Vinylcyclopropanes". supporting information. p. 7383 - 7386. Retrieved 2020/10/12.
• 2、 Li, Jian,Zhu, Shangrong,Xu, Qiuneng,Liu, Li,Yan, Shenghu. "Br?nsted acid mediated intramolecular cyclopropane ring expansion/[4 + 2]-cycloaddition". . p. 10004 - 10008. Retrieved 2019/12/23.