1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone

Base Information

• Chemical Name: 1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone
• CAS No.: 216076-11-8
• Molecular Formula: C13H10ClNO
• Molecular Weight: 231.681
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80464065
• Wikidata: Q82289248
• Mol file: 216076-11-8.mol

Synonyms:216076-11-8;1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone;1-(2-CHLORO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE;1-(2-chlorophenyl)-2-pyridin-4-ylethanone;Ethanone,1-(2-chlorophenyl)-2-(4-pyridinyl)-;1-(2-chlorophenyl)-2-pyridin-4-yl-ethanone;SCHEMBL1156806;1-(2-CHLOROPHENYL)-2-(PYRIDIN-4-YL)ETHAN-1-ONE;DTXSID80464065;BMSUUDSMTHMTQQ-UHFFFAOYSA-N;MFCD04114383;AKOS011844463;AB18198;DS-7818;1-(2-chlorophenyl)-2-(4-pyridyl)ethanone;1-(2-chlorophenyl)-2-pyridin-4-ylmethanone;CS-0156711;FT-0749490;C74059;A815517

Chemical Property of 1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone

Chemical Property:

• Boiling Point: 357 °C at 760 mmHg
• Flash Point: 169.7 °C
• PSA: 29.96000
• Density: 1.239 g/cm³
• LogP: 3.16040
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 231.0450916
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)CC2=CC=NC=C2)Cl

Technology Process of 1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone

There total 3 articles about 1-(2-Chlorophenyl)-2-(pyridin-4-yl)ethanone 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: 79.0%

1-(2-chlorobenzoyl)-2-methylaziridine (21384-45-2) + picoline (108-89-4) → 1-(2-chlorophenyl)-2-(pyridin-4-yl)ethanone (216076-11-8)

Guidance literature:

picoline; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -10 ℃; for 0.333333h;

1-(2-chlorobenzoyl)-2-methylaziridine; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

DOI:10.1248/cpb.53.410

Reference yield: 47.0%

picoline (108-89-4) + 2‐chloro‐N‐methoxy‐N‐methylbenzamide (289686-74-4) → 1-(2-chlorophenyl)-2-(pyridin-4-yl)ethanone (216076-11-8)

Guidance literature:

picoline; With lithium diisopropyl amide; In tetrahydrofuran; cyclohexane; at -78 - 0 ℃; for 0.5h;

2‐chloro‐N‐methoxy‐N‐methylbenzamide; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃;

Reference yield:

o-chlorobenzoyl chloride (609-65-4) → 1-(2-chlorophenyl)-2-(pyridin-4-yl)ethanone (216076-11-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 100 percent / aq. NaOH / diethyl ether / 0 °C

2.1: LDA / tetrahydrofuran; hexane / 0.33 h / -10 °C

2.2: 79 percent / tetrahydrofuran; hexane / 1 h / -78 °C

With sodium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1248/cpb.53.410

upstream raw materials:

1-(2-chlorobenzoyl)-2-methylaziridine

picoline

o-chlorobenzoyl chloride

2‐chloro‐N‐methoxy‐N‐methylbenzamide

Downstream raw materials:

[4-(2-chlorophenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]amine

C₁₄H₁₃ClN₂O