Cyclopropyl 2-(4-methoxyphenyl)ethyl ketone

Base Information

• Chemical Name: Cyclopropyl 2-(4-methoxyphenyl)ethyl ketone
• CAS No.: 87141-66-0
• Molecular Formula: C13H16O2
• Molecular Weight: 204.26
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID60518070
• Wikidata: Q82380484
• Mol file: 87141-66-0.mol

Synonyms:CYCLOPROPYL 2-(4-METHOXYPHENYL)ETHYL KETONE;87141-66-0;1-cyclopropyl-3-(4-methoxyphenyl)propan-1-one;MFCD03843193;DTXSID60518070;AKOS013828533;CYCLOPROPYL2-(4-METHOXYPHENYL)ETHYLKETONE

Chemical Property of Cyclopropyl 2-(4-methoxyphenyl)ethyl ketone

Chemical Property:

• Vapor Pressure: 0.000398mmHg at 25°C
• Boiling Point: 316.9°C at 760 mmHg
• Flash Point: 137°C
• PSA: 26.30000
• Density: 1.099g/cm³
• LogP: 2.60690
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

Cyclopropyl2-(4-methoxyphenyl)ethylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC(=O)C2CC2

Technology Process of Cyclopropyl 2-(4-methoxyphenyl)ethyl ketone

There total 1 articles about Cyclopropyl 2-(4-methoxyphenyl)ethyl 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:

p-methoxybenzyl chloride (824-94-2) + Ethyl 3-cyclopropyl-3-oxopropionate (24922-02-9) → 1-Cyclopropyl-3-(4-methoxy-phenyl)-propan-1-one (87141-66-0) + 3-Cyclopropyl-2,2-bis-(4-methoxy-benzyl)-3-oxo-propionic acid ethyl ester

Guidance literature:

With hydrogenchloride; potassium hydroxide; sodium ethanolate; Yield given. Multistep reaction; 1.) THF, -40 deg C, 0.5 h, 2.) ethanol, 15 min, 3.) heating, 1 h;

Reference yield: 62.0%

1-Cyclopropyl-3-(4-methoxy-phenyl)-propan-1-one (87141-66-0) + diazomethyl-trimethyl-silane (18107-18-1) → C18H26OSi (1266614-84-9)

Guidance literature:

diazomethyl-trimethyl-silane; With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

1-Cyclopropyl-3-(4-methoxy-phenyl)-propan-1-one; In tetrahydrofuran; diethyl ether; hexane; at -78 - 20 ℃; for 4h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo102180f

Reference yield:

1-Cyclopropyl-3-(4-methoxy-phenyl)-propan-1-one (87141-66-0) → 2-(4-Methoxyphenyl)ethyl cyclopropyl carbinol (52121-66-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 1.5h;

upstream raw materials:

p-methoxybenzyl chloride

Ethyl 3-cyclopropyl-3-oxopropionate

Downstream raw materials:

2-(4-Methoxyphenyl)ethyl cyclopropyl carbinol

2-[(E)-6-(4-Methoxy-phenyl)-hex-3-enyl]-3-methyl-cyclohex-2-enone

1-(3-Bromo-3-cyclopropyl-propyl)-4-methoxy-benzene

6-(4-methoxyphenyl)-3-hexenyl bromide