Cyclopropyl 3,4-dichlorophenyl ketone

Base Information

• Chemical Name: Cyclopropyl 3,4-dichlorophenyl ketone
• CAS No.: 136906-33-7
• Molecular Formula: C₁₀H₈Cl₂O
• Molecular Weight: 215.079
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10600136
• Wikidata: Q82496101
• Mol file: 136906-33-7.mol

Synonyms:136906-33-7;CYCLOPROPYL 3,4-DICHLOROPHENYL KETONE;cyclopropyl(3,4-dichlorophenyl)methanone;cyclopropyl-(3,4-dichlorophenyl)methanone;MFCD03841239;SCHEMBL6678525;DTXSID10600136;KDVARTRUFLNVCP-UHFFFAOYSA-N;AKOS008124696;CYCLOPROPYL3,4-DICHLOROPHENYLKETONE;DB-307782;Methanone, cyclopropyl(3,4-dichlorophenyl)-;EN300-62452;N12444;Z389927220

Chemical Property of Cyclopropyl 3,4-dichlorophenyl ketone

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Boiling Point: 334.1°C at 760 mmHg
• Flash Point: 140.8°C
• PSA: 17.07000
• Density: 1.395g/cm³
• LogP: 3.58610
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.9952203
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

cyclopropyl(3,4-dichlorophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclopropyl 3,4-dichlorophenyl ketone

There total 1 articles about Cyclopropyl 3,4-dichlorophenyl 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:

cyclopropylcarbonylmagnesium bromide + 3,4‐dichloro‐N‐methoxy‐N‐methylbenzamide (200802-01-3) → cyclopropyl(3,4-dichlorophenyl)methanone (136906-33-7)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.6b00287

Reference yield:

cyclopropyl(3,4-dichlorophenyl)methanone (136906-33-7) → 2-(3,4-dichlorophenyl)tetrahydrofuran-2-carbonitrile

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid; pyridine hydrochloride / water; acetonitrile / 3 h / 160 °C / Microwave irradiation

2: methanol / 48 h / 35 °C

With pyridine hydrochloride; toluene-4-sulfonic acid; In methanol; water; acetonitrile;

DOI:10.1021/acs.jmedchem.6b00287

Reference yield:

cyclopropyl(3,4-dichlorophenyl)methanone (136906-33-7) → C16H14Cl2N2O

Guidance literature:

Multi-step reaction with 3 steps

1.1: toluene-4-sulfonic acid; pyridine hydrochloride / water; acetonitrile / 3 h / 160 °C / Microwave irradiation

2.1: methanol / 48 h / 35 °C

3.1: n-butyllithium / tetrahydrofuran; hexane / 0.25 h / -78 °C

3.2: 0.25 h / -78 °C

With n-butyllithium; pyridine hydrochloride; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; hexane; water; acetonitrile;

DOI:10.1021/acs.jmedchem.6b00287

upstream raw materials:

3,4‐dichloro‐N‐methoxy‐N‐methylbenzamide

Refernces