Cyclopropyl 2,4-xylyl ketone

Base Information

• Chemical Name: Cyclopropyl 2,4-xylyl ketone
• CAS No.: 71172-79-7
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• European Community (EC) Number: 275-242-5
• NSC Number: 71981
• DSSTox Substance ID: DTXSID60221370
• Nikkaji Number: J308.738G
• Wikidata: Q83099104
• ChEMBL ID: CHEMBL1903068
• Mol file: 71172-79-7.mol

Synonyms:71172-79-7;Cyclopropyl 2,4-xylyl ketone;cyclopropyl(2,4-dimethylphenyl)methanone;Cyclopropyl 2,4-Dimethylphenyl Ketone;cyclopropyl-(2,4-dimethylphenyl)methanone;MLS002693749;EINECS 275-242-5;MFCD00019224;SMR001559691;NSC71981;cid_96396;CHEMBL1903068;SCHEMBL12442147;DTXSID60221370;BDBM114942;HMS3087O17;NSC 71981;NSC-71981;AKOS009337601;Cyclopropyl(2,4-dimethylphenyl) ketone;Cyclopropyl (2,4-dimethylphenyl)methanone;cyclopropyl-(2,4-dimethyl phenyl)methanone;CS-0361240;N14105;2-Amino-3,5,6-trifluoro-4-pyridinecarboxylicacidethylester

Chemical Property of Cyclopropyl 2,4-xylyl ketone

Chemical Property:

• Vapor Pressure: 0.0042mmHg at 25°C
• Boiling Point: 278.7°C at 760 mmHg
• Flash Point: 115°C
• PSA: 17.07000
• Density: 1.07g/cm³
• LogP: 2.89610
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

CYCLOPROPYL 2,4-DIMETHYLPHENYL KETONE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(=O)C2CC2)C

Technology Process of Cyclopropyl 2,4-xylyl ketone

There total 1 articles about Cyclopropyl 2,4-xylyl 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: 74.0%

Cyclopropanecarboselenoic acid Se-phenyl ester (73335-19-0) + m-xylene (108-38-3,104809-90-7) → cyclopropyl(2,4-dimethylphenyl)methanone (71172-79-7)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

Reference yield: 40.0%

1,3-Benzothiazole (95-16-9) + cyclopropyl(2,4-dimethylphenyl)methanone (71172-79-7) → benzo[d]thiazol-2-yl(cyclopropyl)(2,4-dimethylphenyl)ethanol (1253901-19-7)

Guidance literature:

1,3-Benzothiazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.666667h; Inert atmosphere;

cyclopropyl(2,4-dimethylphenyl)methanone; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2010.07.077

Reference yield:

cyclopropyl(2,4-dimethylphenyl)methanone (71172-79-7) + toluene-4-sulfonic acid hydrazide (1576-35-8) → N'-(cyclopropyl(2,4-dimethylphenyl)methylene)-4-methylbenzenesulfonyl hydrazide

Guidance literature:

In ethanol; Reflux; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.09.072

upstream raw materials:

Cyclopropanecarboselenoic acid Se-phenyl ester

m-xylene

Downstream raw materials:

benzo[d]thiazol-2-yl(cyclopropyl)(2,4-dimethylphenyl)ethanol

Refernces