Cyclopropyl(3-methoxyphenyl)methanone

Base Information

• Chemical Name: Cyclopropyl(3-methoxyphenyl)methanone
• CAS No.: 104271-41-2
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2914509090
• European Community (EC) Number: 858-475-2
• DSSTox Substance ID: DTXSID90505135
• Nikkaji Number: J1.010.438F
• Wikidata: Q82360051
• Mol file: 104271-41-2.mol

Synonyms:cyclopropyl(3-methoxyphenyl)methanone;104271-41-2;CYCLOPROPYL 3-METHOXYPHENYL KETONE;cyclopropyl-(3-methoxyphenyl)methanone;MFCD03841209;SCHEMBL7309424;DTXSID90505135;DRJNYGMCZQPJDC-UHFFFAOYSA-N;AKOS010015957;CYCLOPROPYL3-METHOXYPHENYLKETONE;CS-0440415;EN300-100115;N12894;Z513735702

Chemical Property of Cyclopropyl(3-methoxyphenyl)methanone

Chemical Property:

• Vapor Pressure: 0.00507mmHg at 25°C
• Boiling Point: 275.5oC at 760 mmHg
• Flash Point: 119.7oC
• PSA: 26.30000
• Density: 1.142g/cm3
• LogP: 2.28790
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

Cyclopropyl(3-methoxyphenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclopropyl(3-methoxyphenyl)methanone

There total 4 articles about Cyclopropyl(3-methoxyphenyl)methanone 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: 85.0%

cyclopropyl (3-hydroxyphenyl)methanone (76106-47-3) + methyl iodide (74-88-4) → (+)-(3-methoxyphenyl)cyclopropylmethanol (104271-41-2)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1039/P19810002920

Reference yield:

cyclopropylmagnesium bromide (23719-80-4) + N,3‐dimethoxy‐N‐methylbenzamide (152121-82-9) → (+)-(3-methoxyphenyl)cyclopropylmethanol (104271-41-2)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield:

methoxybenzene (100-66-3) + cyclopropropanecarbonitrile (5500-21-0) → (+)-(3-methoxyphenyl)cyclopropylmethanol (104271-41-2)

Guidance literature:

With hydrogenchloride; chloro(cyclopentadienyl)isobutylzirconium(IV); tert.-butyl lithium; Yield given. Multistep reaction;

DOI:10.1021/ja981508t

upstream raw materials:

cyclopropyl (3-hydroxyphenyl)methanone

methyl iodide

methoxybenzene

cyclopropropanecarbonitrile

Downstream raw materials:

5,6-dihydro-8-(3-hydroxyphenyl)imidazo<1,2-a>pyridine

5,6-dihydro-8-(3-methoxyphenyl)imidazo<1,2-a>pyridine

C₁₅H₁₈O₂